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Bosutinib (SKI-606)
- 10mM in DMSO
CAS号 : 380843-75-4(DMSO)

分子式: C₂₆H₂₉Cl₂N₅O₃ 分子量: 530.45

SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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PI-103
- 10mM in DMSO
CAS号 : 371935-74-9(DMSO)

分子式: C₁₉H₁₆N₄O₃ 分子量: 348.36

SMILES: OC1=CC(=CC=C1)C2=NC3=C(OC4=C3C=CC=N4)C(=N2)N5CCOCC5
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TAE684 (NVP-TAE684)
- 2mM in DMSO
CAS号 : 761439-42-3(DMSO)

分子式: C₃₀H₄₀ClN₇O₃S 分子量: 614.2

SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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TG100-115
- 10mM in DMSO
CAS号 : 677297-51-7(DMSO)

分子式: C₁₈H₁₄N₆O₂ 分子量: 346.34

SMILES: NC1=NC2=NC(=C(N=C2C(=N1)N)C3=CC(=CC=C3)O)C4=CC=CC(=C4)O
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塞杜拉替尼
- 10mM in DMSO
CAS号 : 1198300-79-6

分子式: C₂₀H₂₇N₇O₃S 分子量: 445.54

IUPAC Name: 4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide

SMILES: CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N

InChIKey: BGLPECHZZQDNCD-UHFFFAOYSA-N

InChI: InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
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Gedatolisib (PF-05212384, PKI-587)
- 2mM in DMSO
CAS号 : 1197160-78-3

分子式: C₃₂H₄₁N₉O₄ 分子量: 615.73

IUPAC Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

SMILES: CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6

InChIKey: DWZAEMINVBZMHQ-UHFFFAOYSA-N

InChI: InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
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HTH 01-015
- 10mM in DMSO
CAS号 : 1613724-42-7

分子式: C₂₆H₂₈N₈O 分子量: 468.55

IUPAC Name: 2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one

SMILES: CC1=C2C(=NC(=N1)NC3=CN(N=C3)C4CCNCC4)N(C5=CC6=CC=CC=C6C=C5C(=O)N2C)C

InChIKey: CHSDJDLAKKAWCI-UHFFFAOYSA-N

InChI: InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)
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Losmapimod
- 10mM in DMSO
CAS号 : 585543-15-3

分子式: C₂₂H₂₆FN₃O₂ 分子量: 383.46

IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide

SMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C

InChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-N

InChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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Neratinib (HKI-272)
- 2mM in DMSO
CAS号 : 698387-09-6

分子式: C₃₀H₂₉ClN₆O₃ 分子量: 557.04

IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide

SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C

InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N

InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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ON-123300
- 10mM in DMSO
CAS号 : 1357470-29-1

分子式: C₂₄H₂₇N₇O 分子量: 429.5

IUPAC Name: 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N

InChIKey: VADOZMZXXRBXNY-UHFFFAOYSA-N

InChI: InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)
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