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Tofacitinib (CP-690550)CAS号 : 477600-75-2(DMSO)分子式: C16H20N6O 分子量: 312.37SMILES: CC1CCN(CC1N(C)C2=C3C=C[NH]C3=NC=N2)C(=O)CC#N
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
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氟哌啶醇CAS号 : 52-86-8(DMSO)分子式: C21H23ClFNO2 分子量: 375.86SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C3=CC=C(Cl)C=C3
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氯普噻吨CAS号 : 113-59-7(DMSO)分子式: C18H18ClNS 分子量: 315.86SMILES: CN(C)CC/C=C1/C2=CC=CC=C2SC3=C1C=C(Cl)C=C3
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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AT13148CAS号 : 1056901-62-2分子式: C17H16ClN3O 分子量: 313.78IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanolSMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)OInChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-NInChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
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卡麦角林CAS号 : 81409-90-7分子式: C26H37N5O2 分子量: 451.6IUPAC Name: (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamideSMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=CInChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-NInChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
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凯他色林CAS号 : 74050-98-9分子式: C22H22FN3O3 分子量: 395.43IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dioneSMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=OInChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-NInChI: InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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RKI-1447CAS号 : 1342278-01-6 Compound CID : 60138149分子式: C16H14N4O2S 分子量: 326.37IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)ureaSMILES: C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3InChIKey: GDVRVPIXWXOKQO-UHFFFAOYSA-NInChI: InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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XL228CAS号 : 898280-07-4 Compound CID : 59757974分子式: C22H31N9O 分子量: 437.54IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamineSMILES: CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5InChIKey: ALKJNCZNEOTEMP-UHFFFAOYSA-NInChI: InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
