HMS LINCS ID: 10277-101

Name: Temsirolimus

Alternative Names:

LINCS ID: LSM-4295

PubChem CID: 148191

ChEBI ID:

ChEMBL ID:

Molecular Mass: 1029.60

InChi: InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3

InChi Key: CBPNZQVSJQDFBE-UHFFFAOYSA-N

SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10276-101

Name: TCS 2312

Alternative Names:

LINCS ID: LSM-6362

PubChem CID: 11258443

ChEBI ID:

ChEMBL ID:

Molecular Mass: 412.19

InChi: InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26-29,31H,9-10,15H2

InChi Key: BYFCMDWKTJJQGR-UHFFFAOYSA-N

SMILES: C1CC1NCC2=CC=C(C=C2)NC3=CC(=C4C=CC(=C5C=CC(=O)C=C5O)C=C4)NN3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10275-101

Name: (Z)-4-Hydroxytamoxifen

Alternative Names:

LINCS ID: LSM-6361

PubChem CID: 53770298

ChEBI ID:

ChEMBL ID:

Molecular Mass: 387.22

InChi: InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3

InChi Key: DODQJNMQWMSYGS-UHFFFAOYSA-N

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=C(C=C3)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10274-101

Name: SB-3CT

Alternative Names:

LINCS ID: LSM-4293

PubChem CID: 9883002

ChEBI ID:

ChEMBL ID:

Molecular Mass: 306.04

InChi: InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2

InChi Key: LSONWRHLFZYHIN-UHFFFAOYSA-N

SMILES: C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10273-101

Name: Purvalanol A

Alternative Names:

LINCS ID: LSM-3118

PubChem CID: 456214

ChEBI ID:

ChEMBL ID:

Molecular Mass: 388.18

InChi: InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1

InChi Key: PMXCMJLOPOFPBT-HNNXBMFYSA-N

SMILES: CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10272-999

Name: Pemedivexed

Alternative Names: Alimta

LINCS ID: LSM-6353

PubChem CID: 446556

ChEBI ID:

ChEMBL ID:

Molecular Mass: 427.15

InChi: InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1

InChi Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06

HMS LINCS ID: 10271-101

Name: PD 98059

Alternative Names:

LINCS ID: LSM-3394

PubChem CID: 4713

ChEBI ID:

ChEMBL ID:

Molecular Mass: 267.09

InChi: InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

InChi Key: QFWCYNPOPKQOKV-UHFFFAOYSA-N

SMILES: COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10270-101

Name: Oxamflatin

Alternative Names:

LINCS ID: LSM-4290

PubChem CID: 4611

ChEBI ID:

ChEMBL ID:

Molecular Mass: 342.07

InChi: InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)

InChi Key: QRPSQQUYPMFERG-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC=CC(=O)NO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10268-101

Name: Nutlin 3a

Alternative Names:

LINCS ID: LSM-6351

PubChem CID: 11433190

ChEBI ID:

ChEMBL ID:

Molecular Mass: 580.16

InChi: InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1

InChi Key: BDUHCSBCVGXTJM-WUFINQPMSA-N

SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10267-101

Name: NU6102

Alternative Names:

LINCS ID: LSM-4287

PubChem CID: 4566

ChEBI ID:

ChEMBL ID:

Molecular Mass: 402.15

InChi: InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)

InChi Key: OWXORKPNCHJYOF-UHFFFAOYSA-N

SMILES: C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04