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Uncategorized

AZD8055(ID:10007-101)

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AZD8055(ID:10007-101) JIB 04

HMS LINCS ID: 10007-101
Name: AZD8055
Alternative Names:
LINCS ID: LSM-1007
PubChem CID: 25262965
ChEBI ID:
ChEMBL ID:
Molecular Mass: 465.24
InChi: InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
InChi Key: KVLFRAWTRWDEDF-IRXDYDNUSA-N
SMILES: C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 22379034

Uncategorized

AZD7762(ID:10006-101)

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AZD7762(ID:10006-101) JIB04

HMS LINCS ID: 10006-101
Name: AZD7762
Alternative Names:
LINCS ID: LSM-1006
PubChem CID: 67077825
ChEBI ID:
ChEMBL ID:
Molecular Mass: 362.12
InChi: InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m1/s1
InChi Key: IAYGCINLNONXHY-GFCCVEGCSA-N
SMILES: C1C[C@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 22652295

Uncategorized

Tivozanib(ID:10005-101)

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Tivozanib(ID:10005-101) 199596-05-9

HMS LINCS ID: 10005-101
Name: Tivozanib
Alternative Names: AV-951
LINCS ID: LSM-1005
PubChem CID: 9911830
ChEBI ID:
ChEMBL ID:
Molecular Mass: 454.10
InChi: InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)
InChi Key: SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES: CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 23185493

Uncategorized

AT-7519(ID:10004-101)

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AT-7519(ID:10004-101) JIB-04

HMS LINCS ID: 10004-101
Name: AT-7519
Alternative Names:
LINCS ID: LSM-1004
PubChem CID: 11338033
ChEBI ID:
ChEMBL ID: 445813
Molecular Mass: 381.08
InChi: InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChi Key: OVPNQJVDAFNBDN-UHFFFAOYSA-N
SMILES: C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 23415661

Uncategorized

ALW-II-49-7(ID:10003-101)

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ALW-II-49-7(ID:10003-101) 221244-14-0

HMS LINCS ID: 10003-101
Name: ALW-II-49-7
Alternative Names:
LINCS ID: LSM-1003
PubChem CID: 24875320
ChEBI ID:
ChEMBL ID:
Molecular Mass: 414.13
InChi: InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChi Key: SAAYRHKJHDIDPH-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25379005

Uncategorized

ALW-II-38-3(ID:10002-101)

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ALW-II-38-3(ID:10002-101) 1-NM-PP1

HMS LINCS ID: 10002-101
Name: ALW-II-38-3
Alternative Names:
LINCS ID: LSM-1002
PubChem CID: 24880028
ChEBI ID:
ChEMBL ID:
Molecular Mass: 469.14
InChi: InChI=1S/C23H18F3N5O3/c1-13-3-4-17(10-19(13)30-22(33)20-5-6-28-34-20)29-21(32)15-7-16(23(24,25)26)9-18(8-15)31-11-14(2)27-12-31/h3-12H,1-2H3,(H,29,32)(H,30,33)
InChi Key: IYUFHBXMTTXZBE-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)C4=CC=NO4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25242218

Uncategorized

Seliciclib(ID:10001-101)

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Seliciclib(ID:10001-101) Napabucasin

HMS LINCS ID: 10001-101
Name: Seliciclib
Alternative Names: (R)-Roscovitine; CYC202
LINCS ID: LSM-1001
PubChem CID: 160355
ChEBI ID:
ChEMBL ID: 14762
Molecular Mass: 354.22
InChi: InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChi Key: BTIHMVBBUGXLCJ-OAHLLOKOSA-N
SMILES: CC[C@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-07-12

PMID: 25073922

Uncategorized

PD184352(ID:10048-101)

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PD184352(ID:10048-101) VS4718

HMS LINCS ID: 10048-101
Name: PD184352
Alternative Names: CI-1040
LINCS ID: LSM-1048
PubChem CID: 6918454
ChEBI ID:
ChEMBL ID:
Molecular Mass: 477.98
InChi: InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
InChi Key: GFMMXOIFOQCCGU-UHFFFAOYSA-N
SMILES: C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 26074768

Uncategorized

Tozasertib(ID:10021-101)

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Tozasertib(ID:10021-101) VS 4718

HMS LINCS ID: 10021-101
Name: Tozasertib
Alternative Names: VX680; MK-0457
LINCS ID: LSM-1021
PubChem CID: 5494449
ChEBI ID:
ChEMBL ID: 572878
Molecular Mass: 464.21
InChi: InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
InChi Key: GCIKSSRWRFVXBI-UHFFFAOYSA-N
SMILES: CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25593292

Uncategorized

Bortezomib(ID:10241-101)

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Bortezomib(ID:10241-101) VS-4718

HMS LINCS ID: 10241-101
Name: Bortezomib
Alternative Names: Velcade
LINCS ID: LSM-6281
PubChem CID: 387447
ChEBI ID:
ChEMBL ID:
Molecular Mass: 384.20
InChi: InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
InChi Key: GXJABQQUPOEUTA-RDJZCZTQSA-N
SMILES: B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25938462