小分子和化合物库
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蟾毒它灵CAS号: 471-95-4分子式: C26H36O6 分子量: 444.56IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetateSMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)O)OInChIKey: VOZHMAYHYHEWBW-NVOOAVKYSA-NInChI: 1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1
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8-溴腺苷-3',5'-环单磷酸 钠盐CAS号: 76939-46-3分子式: C10H10BrN5NaO6P 分子量: 430.08IUPAC Name: sodium;(4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-olSMILES: C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)[O-].[Na+]InChIKey: DMRMZQATXPQOTP-GWTDSMLYSA-MInChI: 1S/C10H11BrN5O6P.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-;/m1./s1
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19 1-(3-氯苯基)环丙烷-1-胺盐酸盐CAS号: 1217031-87-2分子式: C9H11Cl2N 分子量: 204.09IUPAC Name: 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochlorideSMILES: C1CC1(C2=CC(=CC=C2)Cl)N.ClInChIKey: AWQJBHOHCVILOR-UHFFFAOYSA-NInChI: 1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
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CTX0294885,新型二苯胺嘧啶化合物CAS号: 1439934-41-4分子式: C22H24ClN7O 分子量: 437.93IUPAC Name: 2-[[5-chloro-2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamideSMILES: CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCNCC4InChIKey: FCLOIQHNUARDSR-UHFFFAOYSA-NInChI: 1S/C22H24ClN7O/c1-24-21(31)17-4-2-3-5-19(17)28-20-18(23)14-26-22(29-20)27-15-6-8-16(9-7-15)30-12-10-25-11-13-30/h2-9,14,25H,10-13H2,1H3,(H,24,31)(H2,26,27,28,29)
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1-氯二苯并呋喃CAS号: 84761-86-4分子式: C12H7ClO 分子量: 202.63IUPAC Name: 1-chlorodibenzofuranSMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC=C3ClInChIKey: WRSMJZYBNIAAEE-UHFFFAOYSA-NInChI: 1S/C12H7ClO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
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4-[(4-氯苯基)-2-吡啶基甲氧基]哌啶对硝基苯甲酸盐CAS号: 161558-45-8 Compound CID : 70700323分子式: C24H24ClN3O5 分子量: 469.93IUPAC Name: 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;4-nitrobenzoic acidSMILES: C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: UQSUJCNJGVBZCU-UHFFFAOYSA-NInChI: 1S/C17H19ClN2O.C7H5NO4/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-7,10,15,17,19H,8-9,11-12H2;1-4H,(H,9,10)
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葫芦素ECAS号: 18444-66-1分子式: C32H44O8 分子量: 556.69IUPAC Name: [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetateSMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)OInChIKey: NDYMQXYDSVBNLL-MUYMLXPFSA-NInChI: See more
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24 1-(35-二氯苯基)环丙烷-1-胺盐酸盐CAS号: 1260777-45-4分子式: C9H10Cl3N 分子量: 238.54IUPAC Name: 1-(3,5-dichlorophenyl)cyclopropan-1-amineSMILES: C1CC1(C2=CC(=CC(=C2)Cl)Cl)NInChIKey: WVCNYXGJGILAFZ-UHFFFAOYSA-NInChI: 1S/C9H9Cl2N/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5H,1-2,12H2
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25 1-(25-二氟苯基)环丙烷-1-胺盐酸盐CAS号: 1269397-45-6分子式: C9H10ClF2N 分子量: 205.63IUPAC Name: 1-(2,5-difluorophenyl)cyclopropan-1-amine;hydrochlorideSMILES: C1CC1(C2=C(C=CC(=C2)F)F)N.ClInChIKey: MTWFPMFGBBLPNM-UHFFFAOYSA-NInChI: 1S/C9H9F2N.ClH/c10-6-1-2-8(11)7(5-6)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
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34-二甲基苯肼盐酸盐CAS号: 13636-53-8分子式: C8H12N2 分子量: 136.2IUPAC Name: (3,4-dimethylphenyl)hydrazineSMILES: CC1=C(C=C(C=C1)NN)CInChIKey: ACHREEHAAAECOR-UHFFFAOYSA-NInChI: 1S/C8H12N2/c1-6-3-4-8(10-9)5-7(6)2/h3-5,10H,9H2,1-2H3
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Decoyinin,GMP合成酶抑制剂。CAS号: 2004-04-8分子式: C11H13N5O4 分子量: 279.25IUPAC Name: (2R,3R,4S)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diolSMILES: C=C1C(C(C(O1)(CO)N2C=NC3=C(N=CN=C32)N)O)OInChIKey: UZSSGAOAYPICBZ-SOCHQFKDSA-NInChI: 1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1
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