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3′-叠氮-3′-脱氧胸苷CAS号: 30516-87-1分子式: C10H13N5O4 分子量: 267.24IUPAC Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneSMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]InChIKey: HBOMLICNUCNMMY-XLPZGREQSA-NInChI: 1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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苯芴醇CAS号: 82186-77-4分子式: C30H32Cl3NO 分子量: 528.94IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanolSMILES: CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)OInChIKey: DYLGFOYVTXJFJP-MYYYXRDXSA-NInChI: 1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
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三七皂甙 R1CAS号: 80418-24-2分子式: C47H80O18 分子量: 933.14IUPAC Name: See more
SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)CInChIKey: LLPWNQMSUYAGQI-OOSPGMBYSA-NInChI: See more -
尼氟酸CAS号: 4394-00-7分子式: C13H9F3N2O2 分子量: 282.22IUPAC Name: 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acidSMILES: C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)FInChIKey: JZFPYUNJRRFVQU-UHFFFAOYSA-NInChI: 1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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大黄素甲醚分子式: C16H12O5 分子量: 284.26IUPAC Name: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dioneSMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCInChIKey: FFWOKTFYGVYKIR-UHFFFAOYSA-NInChI: 1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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吡罗昔康CAS号: 36322-90-4 EC号: 252-974-3分子式: C15H13N3O4S 分子量: 331.35IUPAC Name: 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamideSMILES: CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3InChIKey: QYSPLQLAKJAUJT-UHFFFAOYSA-NInChI: 1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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苯基丁氮酮CAS号: 50-33-9分子式: C19H20N2O2 分子量: 308.37IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dioneSMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3InChIKey: VYMDGNCVAMGZFE-UHFFFAOYSA-NInChI: 1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
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雷米普利分子式: C23H32N2O5 分子量: 416.51IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acidSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)OInChIKey: HDACQVRGBOVJII-JBDAPHQKSA-NInChI: 1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
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司帕沙星CAS号: 110871-86-8 Compound CID : 60464分子式: C19H22F2N4O3 分子量: 392.4IUPAC Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acidSMILES: CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)FInChIKey: DZZWHBIBMUVIIW-DTORHVGOSA-NInChI: 1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
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枸橼酸西地那非CAS号: 171599-83-0分子式: C22H30N6O4S·C6H8O7 分子量: 666.70IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one;2-hydroxypropane-1,2,3-tricarboxylic acidSMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: DEIYFTQMQPDXOT-UHFFFAOYSA-NInChI: See more
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SB-203580,p38 MAPK抑制剂CAS号: 152121-47-6 Compound CID : 176155分子式: C21H16FN3OS 分子量: 377.43IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridineSMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)FInChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-NInChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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5-氟-1-(四氢-2-糠基)尿嘧啶分子式: C8H9FN2O3 分子量: 200.17IUPAC Name: 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dioneSMILES: C1CC(OC1)N2C=C(C(=O)NC2=O)FInChIKey: WFWLQNSHRPWKFK-UHFFFAOYSA-NInChI: 1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
