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Uncategorized

JNJ38877605(ID:10156-101)

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JNJ38877605(ID:10156-101) PF04447943

HMS LINCS ID: 10156-101
Name: JNJ38877605
Alternative Names:
LINCS ID: LSM-1157
PubChem CID: 46911863
ChEBI ID:
ChEMBL ID:
Molecular Mass: 377.12
InChi: InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3
InChi Key: JRWCBEOAFGHNNU-UHFFFAOYSA-N
SMILES: CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 7602484

Uncategorized

KU-60019(ID:10155-101)

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KU-60019(ID:10155-101) PF 04447943

HMS LINCS ID: 10155-101
Name: KU-60019
Alternative Names:
LINCS ID: LSM-1156
PubChem CID: 16117018
ChEBI ID:
ChEMBL ID:
Molecular Mass: 547.21
InChi: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)
InChi Key: SCELLOWTHJGVIC-UHFFFAOYSA-N
SMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C=CC=C4C3)C5=CC(=O)C=C(O5)N6CCOCC6
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8298790

Uncategorized

AT7867(ID:10154-101)

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AT7867(ID:10154-101) PF-04447943

HMS LINCS ID: 10154-101
Name: AT7867
Alternative Names:
LINCS ID: LSM-1155
PubChem CID: 11175137
ChEBI ID:
ChEMBL ID:
Molecular Mass: 337.13
InChi: InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChi Key: LZMOSYUFVYJEPY-UHFFFAOYSA-N
SMILES: C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8750913

Uncategorized

KIN001-266(ID:10153-101)

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KIN001-266(ID:10153-101) Quisinostat

HMS LINCS ID: 10153-101
Name: KIN001-266
Alternative Names:
LINCS ID: LSM-1154
PubChem CID: 44143370
ChEBI ID:
ChEMBL ID:
Molecular Mass: 538.16
InChi: InChI=1S/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33)
InChi Key: PHNZIIMWDVXPGG-UHFFFAOYSA-N
SMILES: CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC(=C4C(=C3)C(=C(C=N4)C#N)NC5=CC(=C(C=C5)F)Cl)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 747435

Uncategorized

MK 1775(ID:10152-101)

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MK 1775(ID:10152-101) 24386-93-4

HMS LINCS ID: 10152-101
Name: MK 1775
Alternative Names:
LINCS ID: LSM-1153
PubChem CID: 24856436
ChEBI ID:
ChEMBL ID:
Molecular Mass: 500.26
InChi: InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
InChi Key: BKWJAKQVGHWELA-UHFFFAOYSA-N
SMILES: CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 7582507

Uncategorized

Nintedanib(ID:10151-101)

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Nintedanib(ID:10151-101) 5-Iodotubercidin

HMS LINCS ID: 10151-101
Name: Nintedanib
Alternative Names: BIBF-1120; Vargatef
LINCS ID: LSM-1152
PubChem CID: 56965894
ChEBI ID:
ChEMBL ID:
Molecular Mass: 539.25
InChi: InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)
InChi Key: XZXHXSATPCNXJR-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16467527

Uncategorized

Ponatinib(ID:10150-101)

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Ponatinib(ID:10150-101) RS-504393

HMS LINCS ID: 10150-101
Name: Ponatinib
Alternative Names: AP24534
LINCS ID: LSM-1151
PubChem CID: 24826799
ChEBI ID:
ChEMBL ID:
Molecular Mass: 532.22
InChi: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
InChi Key: PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8220871

Uncategorized

Y39983(ID:10149-102)

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Y39983(ID:10149-102) KB-R7943

HMS LINCS ID: 10149-102
Name: Y39983
Alternative Names:
LINCS ID: LSM-1150
PubChem CID: 9810884
ChEBI ID:
ChEMBL ID:
Molecular Mass: 280.13
InChi: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
InChi Key: JTVBXQAYBIJXRP-SNVBAGLBSA-N
SMILES: C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25622143

Uncategorized

XL147(ID:10148-101)

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XL147(ID:10148-101) BI 10773

HMS LINCS ID: 10148-101
Name: XL147
Alternative Names: SAR245408
LINCS ID: LSM-1149
PubChem CID: 52914932
ChEBI ID:
ChEMBL ID:
Molecular Mass: 448.08
InChi: InChI=1S/C21H16N6O2S2/c1-13-9-11-14(12-10-13)31(28,29)27-21-20(22-15-5-2-3-6-16(15)23-21)24-17-7-4-8-18-19(17)26-30-25-18/h2-12H,1H3,(H,22,24)(H,23,27)
InChi Key: NCUAOBDESQDAII-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=NSN=C54
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 7984293

Uncategorized

Buparlisib(ID:10147-101)

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Buparlisib(ID:10147-101) BI-10773

HMS LINCS ID: 10147-101
Name: Buparlisib
Alternative Names: BKM120; NVP-BKM120
LINCS ID: LSM-1148
PubChem CID: 16654980
ChEBI ID:
ChEMBL ID:
Molecular Mass: 410.17
InChi: InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
InChi Key: CWHUFRVAEUJCEF-UHFFFAOYSA-N
SMILES: C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 9732367