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Uncategorized

NVP-TAE226(ID:10207-101)

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NVP-TAE226(ID:10207-101) 1204669-58-8

HMS LINCS ID: 10207-101
Name: NVP-TAE226
Alternative Names:
LINCS ID: LSM-1208
PubChem CID: 9934347
ChEBI ID:
ChEMBL ID:
Molecular Mass: 468.17
InChi: InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
InChi Key: UYJNQQDJUOUFQJ-UHFFFAOYSA-N
SMILES: CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16954157

Uncategorized

RAF 265(ID:10206-101)

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RAF 265(ID:10206-101) RG-7388

HMS LINCS ID: 10206-101
Name: RAF 265
Alternative Names: CHIR-265
LINCS ID: LSM-1207
PubChem CID: 11656518
ChEBI ID:
ChEMBL ID:
Molecular Mass: 518.13
InChi: InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
InChi Key: YABJJWZLRMPFSI-UHFFFAOYSA-N
SMILES: CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 12467617

Uncategorized

INK-128(ID:10205-101)

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INK-128(ID:10205-101) RG 7388

HMS LINCS ID: 10205-101
Name: INK-128
Alternative Names: MLN0128
LINCS ID: LSM-1206
PubChem CID: 45375953
ChEBI ID:
ChEMBL ID:
Molecular Mass: 309.13
InChi: InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
InChi Key: GYLDXIAOMVERTK-UHFFFAOYSA-N
SMILES: CC(C)N1C2=C(C(=N1)C3=CC4=C(C=C3)OC(=N4)N)C(=NC=N2)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 19326916

Uncategorized

CAL-101(ID:10204-101)

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CAL-101(ID:10204-101) RG7388

HMS LINCS ID: 10204-101
Name: CAL-101
Alternative Names:
LINCS ID: LSM-1205
PubChem CID: 11625818
ChEBI ID:
ChEMBL ID:
Molecular Mass: 415.16
InChi: InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
InChi Key: IFSDAJWBUCMOAH-HNNXBMFYSA-N
SMILES: CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 15588097

Uncategorized

A66(ID:10203-101)

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A66(ID:10203-101) LDK-378

HMS LINCS ID: 10203-101
Name: A66
Alternative Names:
LINCS ID: LSM-1204
PubChem CID: 42636535
ChEBI ID:
ChEMBL ID:
Molecular Mass: 393.13
InChi: InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
InChi Key: HBPXWEPKNBHKAX-NSHDSACASA-N
SMILES: CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CSC(=N3)C(C)(C)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17649988

Uncategorized

D 4476(ID:10202-101)

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D 4476(ID:10202-101) LDK 378

HMS LINCS ID: 10202-101
Name: D 4476
Alternative Names:
LINCS ID: LSM-1203
PubChem CID: 6419753
ChEBI ID:
ChEMBL ID:
Molecular Mass: 398.14
InChi: InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
InChi Key: DPDZHVCKYBCJHW-UHFFFAOYSA-N
SMILES: C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 15936093

Uncategorized

CH5424802(ID:10201-101)

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CH5424802(ID:10201-101) 1032900-25-6

HMS LINCS ID: 10201-101
Name: CH5424802
Alternative Names:
LINCS ID: LSM-1202
PubChem CID: 49806720
ChEBI ID:
ChEMBL ID:
Molecular Mass: 482.27
InChi: InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
InChi Key: KDGFLJKFZUIJMX-UHFFFAOYSA-N
SMILES: CCC1=C(C=C2C(=C1)C(=O)C3=C(C2(C)C)NC4=C3C=CC(=C4)C#N)N5CCC(CC5)N6CCOCC6
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16480781

Uncategorized

NVP-BHG712(ID:10200-101)

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NVP-BHG712(ID:10200-101) LDK378

HMS LINCS ID: 10200-101
Name: NVP-BHG712
Alternative Names: KIN001-265
LINCS ID: LSM-1201
PubChem CID: 16747388
ChEBI ID:
ChEMBL ID:
Molecular Mass: 503.17
InChi: InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)
InChi Key: ZCCPLJOKGAACRT-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=NC(=NC4=C3C=NN4C)C5=CN=CC=C5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 21558435

Uncategorized

PF 573228(ID:10199-101)

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PF 573228(ID:10199-101) 1373423-53-0

HMS LINCS ID: 10199-101
Name: PF 573228
Alternative Names:
LINCS ID: LSM-1200
PubChem CID: 11612883
ChEBI ID:
ChEMBL ID:
Molecular Mass: 491.12
InChi: InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
InChi Key: HESLKTSGTIBHJU-UHFFFAOYSA-N
SMILES: CS(=O)(=O)C1=CC=CC(=C1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)CC4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 6282060

Uncategorized

Vandetanib(ID:10198-101)

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Vandetanib(ID:10198-101) GSK-J4

HMS LINCS ID: 10198-101
Name: Vandetanib
Alternative Names: ZD6474; Zactima; Caprelsa
LINCS ID: LSM-1199
PubChem CID: 3081361
ChEBI ID:
ChEMBL ID:
Molecular Mass: 474.11
InChi: InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChi Key: UHTHHESEBZOYNR-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 28230181