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Uncategorized

AS601245(ID:10034-101)

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AS601245(ID:10034-101) 58880-19-6

HMS LINCS ID: 10034-101
Name: AS601245
Alternative Names: JNK Inhibitor V
LINCS ID: LSM-1034
PubChem CID: 10109823
ChEBI ID:
ChEMBL ID: 191384
Molecular Mass: 372.12
InChi: InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
InChi Key: RCYPVQCPYKNSTG-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 7984289

Uncategorized

QL-XII-47(ID:10077-101)

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QL-XII-47(ID:10077-101) 25316-40-9

HMS LINCS ID: 10077-101
Name: QL-XII-47
Alternative Names:
LINCS ID: LSM-6019
PubChem CID: 71748056
ChEBI ID:
ChEMBL ID:
Molecular Mass: 447.17
InChi: InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
InChi Key: RTRNJQOBEOISFQ-UHFFFAOYSA-N
SMILES: CN1C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC6=C(CCN6C(=O)C=C)C=C5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8627567

Uncategorized

QL-XI-92(ID:10076-101)

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QL-XI-92(ID:10076-101) 62996-74-1

HMS LINCS ID: 10076-101
Name: QL-XI-92
Alternative Names:
LINCS ID: LSM-5394
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 458.12
InChi: InChI=1S/C22H17F3N4O4/c1-3-19(30)27-15-9-14(22(23,24)25)10-16(11-15)28-20(31)13-5-4-12(2)17(8-13)29-21(32)18-6-7-26-33-18/h3-11H,1H2,2H3,(H,27,30)(H,28,31)(H,29,32)
InChi Key: UASQUKUDXJFTCO-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)NC(=O)C=C)NC(=O)C3=CC=NO3
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17521572

Uncategorized

QL-X-138(ID:10075-101)

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QL-X-138(ID:10075-101) PSI 7977

HMS LINCS ID: 10075-101
Name: QL-X-138
Alternative Names:
LINCS ID: LSM-5803
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 421.15
InChi: InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
InChi Key: JMVDIGHUQAXWIE-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 6472484

Uncategorized

KU55933(ID:10074-101)

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KU55933(ID:10074-101) GS 7977

HMS LINCS ID: 10074-101
Name: KU55933
Alternative Names:
LINCS ID: LSM-1074
PubChem CID: 5278396
ChEBI ID:
ChEMBL ID:
Molecular Mass: 395.06
InChi: InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
InChi Key: XRKYMMUGXMWDAO-UHFFFAOYSA-N
SMILES: C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 2540014

Uncategorized

PHA-793887(ID:10073-101)

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PHA-793887(ID:10073-101) PSI-7977

HMS LINCS ID: 10073-101
Name: PHA-793887
Alternative Names:
LINCS ID: LSM-1073
PubChem CID: 46191454
ChEBI ID:
ChEMBL ID:
Molecular Mass: 361.25
InChi: InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
InChi Key: HUXYBQXJVXOMKX-UHFFFAOYSA-N
SMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 1723376

Uncategorized

PF562271(ID:10072-101)

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PF562271(ID:10072-101) BAY 61-3606

HMS LINCS ID: 10072-101
Name: PF562271
Alternative Names: KIN001-205
LINCS ID: LSM-1072
PubChem CID: 11713159
ChEBI ID:
ChEMBL ID:
Molecular Mass: 507.13
InChi: InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
InChi Key: MZDKLVOWGIOKTN-UHFFFAOYSA-N
SMILES: CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8095550

Uncategorized

Palbociclib(ID:10071-101)

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Palbociclib(ID:10071-101) 648903-57-5

HMS LINCS ID: 10071-101
Name: Palbociclib
Alternative Names: PD0332991
LINCS ID: LSM-1071
PubChem CID: 5330286
ChEBI ID:
ChEMBL ID: 189963
Molecular Mass: 447.24
InChi: InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChi Key: AHJRHEGDXFFMBM-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8842679

Uncategorized

NPK76-II-72-1(ID:10070-101)

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NPK76-II-72-1(ID:10070-101) BAY 61-3606 (dihydrochloride)

HMS LINCS ID: 10070-101
Name: NPK76-II-72-1
Alternative Names:
LINCS ID: LSM-1070
PubChem CID: 46843648
ChEBI ID:
ChEMBL ID:
Molecular Mass: 521.31
InChi: InChI=1S/C28H39N7O3/c1-18-15-25(36)34(3)23-17-29-28(32-26(23)35(18)21-7-5-6-8-21)31-22-10-9-19(16-24(22)38-4)27(37)30-20-11-13-33(2)14-12-20/h9-10,16-18,20-21H,5-8,11-15H2,1-4H3,(H,30,37)(H,29,31,32)
InChi Key: KZLQLABUFJNPSZ-UHFFFAOYSA-N
SMILES: CC1CC(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 9888250

Uncategorized

Enzastaurin(ID:10069-101)

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Enzastaurin(ID:10069-101) GSK-2334470

HMS LINCS ID: 10069-101
Name: Enzastaurin
Alternative Names: LY317615
LINCS ID: LSM-1069
PubChem CID: 176167
ChEBI ID:
ChEMBL ID:
Molecular Mass: 515.23
InChi: InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
InChi Key: AXRCEOKUDYDWLF-UHFFFAOYSA-N
SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 20567609