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奥氮平CAS号: 132539-06-1分子式: C17H20N4S 分子量: 312.43IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepineSMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CInChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-NInChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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帕波西利CAS号: 571190-30-2 EC号: 810-186-2分子式: C24H29N7O2 分子量: 447.53IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-oneSMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)CInChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-NInChI: 1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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利哌酮CAS号: 106266-06-2 Compound CID : 5073分子式: C23H27FN4O2 分子量: 410.48IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-NInChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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舍吲哚CAS号: 106516-24-9 Compound CID : 60149分子式: C24H26ClFN4O 分子量: 440.9IUPAC Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-oneSMILES: C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=OInChIKey: GZKLJWGUPQBVJQ-UHFFFAOYSA-NInChI: 1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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佐米曲坦CAS号: 139264-17-8 Compound CID : 60857分子式: C16H21N3O2 分子量: 287.36IUPAC Name: (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-oneSMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3InChIKey: ULSDMUVEXKOYBU-ZDUSSCGKSA-NInChI: 1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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齐拉西酮CAS号: 146939-27-7 Compound CID : 60854分子式: C21H21ClN4OS 分子量: 412.94IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-oneSMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-NInChI: 1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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氯氮平CAS号: 5786-21-0分子式: C18H19ClN4 分子量: 326.82IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-NInChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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Dinaciclib (SCH727965),新型CDK抑制剂CAS号: 779353-01-4分子式: C21H28N6O2 分子量: 396.49IUPAC Name: 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanolSMILES: CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCCC4CCOInChIKey: PIMQWRZWLQKKBJ-SFHVURJKSA-NInChI: 1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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NU6102,抗增殖剂CAS号: 444722-95-6分子式: C18H22N6O3S 分子量: 402.47IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamideSMILES: C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)NInChIKey: OWXORKPNCHJYOF-UHFFFAOYSA-NInChI: 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)
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THAL SNS 032,Cdk9降解PROTACCAS号: 2139287-33-3 Compound CID : 131801483分子式: C40H52N8O10S2 分子量: 869.02IUPAC Name: See more
SMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=OInChIKey: BXDZOYLPNAIDOC-UHFFFAOYSA-NInChI: See more -
NSC 625987,Cdk4抑制剂CAS号: 141992-47-4分子式: C15H13NO2S 分子量: 271.33IUPAC Name: 1,4-dimethoxy-10H-acridine-9-thioneSMILES: COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=SInChIKey: KFAKESMKRPNZTM-UHFFFAOYSA-NInChI: 1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)
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THAL SNS 032CAS号: 2139287-33-3 Compound CID : 131801483分子式: C40H52N8O10S2 分子量: 869.02IUPAC Name: See more SMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=OInChIKey: BXDZOYLPNAIDOC-UHFFFAOYSA-NInChI: See more
