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Capivasertib (AZD5363)CAS号 : 1143532-39-1(DMSO)分子式: C21H25ClN6O2 分子量: 428.92SMILES: NC1(CCN(CC1)C2=NC=NC3=C2C=C[NH]3)C(=O)NC(CCO)C4=CC=C(Cl)C=C4
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: 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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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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Ipatasertib (GDC-0068)CAS号 : 1001264-89-6(DMSO)分子式: C24H32ClN5O2 分子量: 458SMILES: CC(C)NCC(C(=O)N1CCN(CC1)C2=C3C(C)CC(O)C3=NC=N2)C4=CC=C(Cl)C=C4
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GSK690693CAS号 : 937174-76-0(DMSO)分子式: C21H27N7O3 分子量: 425.48SMILES: CC[N]1C(=NC2=C1C(=CN=C2C#CC(C)(C)O)OCC3CCCNC3)C4=NON=C4N
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Sitravatinib (MGCD516)CAS号 : 1123837-84-2(DMSO)分子式: C33H29F2N5O4S 分子量: 629.68SMILES: COCCNCC1=CC=C(N=C1)C2=CC3=C(S2)C(=CC=N3)OC4=CC=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4F
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Afuresertib (GSK2110183)CAS号 : 1047644-62-1分子式: C18H17Cl2FN4OS 分子量: 427.32IUPAC Name: N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamideSMILES: CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC(=CC=C3)F)CN)ClInChIKey: AFJRDFWMXUECEW-LBPRGKRZSA-NInChI: InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
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米兰塞替布(ARQ 092)盐酸CAS号 : 1313883-00-9分子式: C27H25ClN6 分子量: 468.98IUPAC Name: 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochlorideSMILES: C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N.ClInChIKey: DRHSWSSVIKDJME-UHFFFAOYSA-NInChI: InChI=1S/C27H24N6.ClH/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27;/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30);1H
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MiransertibCAS号 : 1313881-70-7分子式: C27H24N6 分子量: 432.53IUPAC Name: 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amineSMILES: C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)NInChIKey: HNFMVVHMKGFCMB-UHFFFAOYSA-NInChI: InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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PD173955CAS号 : 260415-63-2 Compound CID : 447077分子式: C21H16Cl2N4OS 分子量: 443.35IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-oneSMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SCInChIKey: VAARYSWULJUGST-UHFFFAOYSA-NInChI: InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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UprosertibCAS号 : 1047634-65-0 Compound CID : 51042438分子式: C18H16Cl2F2N4O2 分子量: 429.25IUPAC Name: N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamideSMILES: CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)NC(CC3=CC(=C(C=C3)F)F)CN)ClInChIKey: AXTAPYRUEKNRBA-JTQLQIEISA-NInChI: InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1
