HMS LINCS ID: 10125-101

Name: PHA-665752

Alternative Names:

LINCS ID: LSM-1125

PubChem CID: 66596670

ChEBI ID:

ChEMBL ID: 450786

Molecular Mass: 640.17

InChi: InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/t21-/m1/s1

InChi Key: OYONTEXKYJZFHA-OAQYLSRUSA-N

SMILES: CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10124-101

Name: MGCD265

Alternative Names:

LINCS ID: LSM-1124

PubChem CID: 24901704

ChEBI ID:

ChEMBL ID:

Molecular Mass: 517.10

InChi: InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)

InChi Key: UFICVEHDQUKCEA-UHFFFAOYSA-N

SMILES: CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10123-101

Name: SGX523

Alternative Names:

LINCS ID: LSM-1123

PubChem CID: 24779724

ChEBI ID:

ChEMBL ID:

Molecular Mass: 359.10

InChi: InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3

InChi Key: BCZUAADEACICHN-UHFFFAOYSA-N

SMILES: CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10122-101

Name: NVP-AEW541

Alternative Names: AEW541

LINCS ID: LSM-1122

PubChem CID: 11476171

ChEBI ID:

ChEMBL ID:

Molecular Mass: 439.24

InChi: InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)

InChi Key: AECDBHGVIIRMOI-UHFFFAOYSA-N

SMILES: C1CN(C1)CC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10121-101

Name: SB525334

Alternative Names:

LINCS ID: LSM-1121

PubChem CID: 9967941

ChEBI ID:

ChEMBL ID:

Molecular Mass: 343.18

InChi: InChI=1S/C21H21N5/c1-13-6-5-7-16(24-13)19-18(25-20(26-19)21(2,3)4)14-8-9-15-17(12-14)23-11-10-22-15/h5-12H,1-4H3,(H,25,26)

InChi Key: DKPQHFZUICCZHF-UHFFFAOYSA-N

SMILES: CC1=CC=CC(=N1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=NC=CN=C4C=C3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10120-102

Name: Canertinib

Alternative Names: CI-1033; PD-183805

LINCS ID: LSM-1120

PubChem CID: 156414

ChEBI ID:

ChEMBL ID:

Molecular Mass: 485.16

InChi: InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)

InChi Key: OMZCMEYTWSXEPZ-UHFFFAOYSA-N

SMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10119-101

Name: SU11274

Alternative Names: PKI-SU11274

LINCS ID: LSM-1119

PubChem CID: 53396327

ChEBI ID:

ChEMBL ID:

Molecular Mass: 567.17

InChi: InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)

InChi Key: FPYJSJDOHRDAMT-UHFFFAOYSA-N

SMILES: CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10118-101

Name: Amuvatinib

Alternative Names: MP470

LINCS ID: LSM-1118

PubChem CID: 11282283

ChEBI ID:

ChEMBL ID:

Molecular Mass: 447.14

InChi: InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)

InChi Key: FOFDIMHVKGYHRU-UHFFFAOYSA-N

SMILES: C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10117-101

Name: Celasdivol

Alternative Names:

LINCS ID: LSM-1117

PubChem CID: 5315765

ChEBI ID:

ChEMBL ID:

Molecular Mass: 450.28

InChi: InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29?/m1/s1

InChi Key: KQJSQWZMSAGSHN-NPIVXRNBSA-N

SMILES: CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CCC4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10116-101

Name: PF431396

Alternative Names:

LINCS ID: LSM-1116

PubChem CID: 11598628

ChEBI ID:

ChEMBL ID:

Molecular Mass: 506.13

InChi: InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)

InChi Key: POJZIZBONPAWIV-UHFFFAOYSA-N

SMILES: CN(C1=CC=CC=C1CNC2=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