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Archives July 2017

Uncategorized

TWS119(ID:10111-101)

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TWS119(ID:10111-101) GSK-2830371

HMS LINCS ID: 10111-101
Name: TWS119
Alternative Names:
LINCS ID: LSM-1111
PubChem CID: 9549289
ChEBI ID:
ChEMBL ID:
Molecular Mass: 318.11
InChi: InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
InChi Key: VPVLEBIVXZSOMQ-UHFFFAOYSA-N
SMILES: C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25899065

Uncategorized

FR180204(ID:10110-101)

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FR180204(ID:10110-101) NSC-405020

HMS LINCS ID: 10110-101
Name: FR180204
Alternative Names: FR 180204; KIN001-230
LINCS ID: LSM-1110
PubChem CID: 11493598
ChEBI ID:
ChEMBL ID:
Molecular Mass: 327.12
InChi: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
InChi Key: XVECMUKVOMUNLE-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-05-06

PMID: 25689282

Uncategorized

Torin2(ID:10080-101)

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Torin2(ID:10080-101) NSC405020

HMS LINCS ID: 10080-101
Name: Torin2
Alternative Names:
LINCS ID: LSM-1080
PubChem CID: 51358113
ChEBI ID:
ChEMBL ID:
Molecular Mass: 432.12
InChi: InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
InChi Key: GUXXEUUYCAYESJ-UHFFFAOYSA-N
SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 9053730

Uncategorized

AS605240(ID:10054-101)

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AS605240(ID:10054-101) NSC 405020

HMS LINCS ID: 10054-101
Name: AS605240
Alternative Names:
LINCS ID: LSM-1054
PubChem CID: 24906273
ChEBI ID:
ChEMBL ID:
Molecular Mass: 257.03
InChi: InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
InChi Key: SQWZFLMPDUSYGV-UHFFFAOYSA-N
SMILES: C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 10963747

Uncategorized

ZSTK474(ID:10053-101)

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ZSTK474(ID:10053-101) WZ-4003

HMS LINCS ID: 10053-101
Name: ZSTK474
Alternative Names:
LINCS ID: LSM-1053
PubChem CID: 11647372
ChEBI ID:
ChEMBL ID:
Molecular Mass: 417.17
InChi: InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
InChi Key: HGVNLRPZOWWDKD-UHFFFAOYSA-N
SMILES: C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 26637485

Uncategorized

AZD8055(ID:10007-101)

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AZD8055(ID:10007-101) WZ4003

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: 9283714

Uncategorized

AZD7762(ID:10006-101)

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AZD7762(ID:10006-101) Nemorubicin

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: 2541365

Uncategorized

NVP-BGT226(ID:10349-106)

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NVP-BGT226(ID:10349-106) OPC-34712

HMS LINCS ID: 10349-106
Name: NVP-BGT226
Alternative Names:
LINCS ID: LSM-6710
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 534.20
InChi: InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
InChi Key: BMMXYEBLEBULND-UHFFFAOYSA-N
SMILES: CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 9353373

Uncategorized

HG-14-10-04(ID:10342-101)

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HG-14-10-04(ID:10342-101) OPC34712

HMS LINCS ID: 10342-101
Name: HG-14-10-04
Alternative Names:
LINCS ID: LSM-6345
PubChem CID: 56655374
ChEBI ID:
ChEMBL ID:
Molecular Mass: 531.25
InChi: InChI=1S/C29H34ClN7O/c1-35-13-15-37(16-14-35)20-9-11-36(12-10-20)21-7-8-26(27(17-21)38-2)33-29-32-19-24(30)28(34-29)23-18-31-25-6-4-3-5-22(23)25/h3-8,17-20,31H,9-16H2,1-2H3,(H,32,33,34)
InChi Key: HRYNCLKDKCPYBF-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)C5=CNC6=CC=CC=C65)Cl)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 12187403

Uncategorized

HG-14-8-02(ID:10341-101)

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HG-14-8-02(ID:10341-101) OPC 34712

HMS LINCS ID: 10341-101
Name: HG-14-8-02
Alternative Names:
LINCS ID: LSM-6344
PubChem CID: 71496458
ChEBI ID:
ChEMBL ID:
Molecular Mass: 499.27
InChi: InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChi Key: DUYJMQONPNNFPI-UHFFFAOYSA-N
SMILES: CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 7241504