小分子和化合物库
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(+)-假木贼碱盐酸盐CAS号: 53912-89-3分子式: C10H15ClN2 分子量: 198.69IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine;hydrochlorideSMILES: C1CCNC(C1)C2=CN=CC=C2.ClInChIKey: VTMZQNZVYCJLGG-PPHPATTJSA-NInChI: 1S/C10H14N2.ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h3-4,6,8,10,12H,1-2,5,7H2;1H/t10-;/m0./s1
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阿塞那平马来酸盐CAS号: 85650-56-2 EC号: 288-064-8分子式: C17H16ClNO ·C4H4O4 分子量: 401.84IUPAC Name: (Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaeneSMILES: CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)OInChIKey: GMDCDXMAFMEDAG-CHHFXETESA-NInChI: 1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-;/m1./s1
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拉曲吡啶二盐酸盐CAS号: 97657-92-6 Compound CID : 23729232分子式: C21H25N3·2HCl 分子量: 392.37IUPAC Name: 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochlorideSMILES: CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C.Cl.ClInChIKey: GTWLIQOLGOZTLF-UHFFFAOYSA-NInChI: 1S/C21H25N3.2ClH/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H
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LDN-57444,可逆的竞争性UCH-L1抑制剂CAS号: 668467-91-2分子式: C17H11Cl3N2O3 分子量: 397.64IUPAC Name: [(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetateSMILES: CC(=O)ON=C1C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)ClInChIKey: OPQRFPHLZZPCCH-PGMHBOJBSA-NInChI: 1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-
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Mastoparan 17,蜂毒肽CAS号: 145854-61-1分子式: C70H132N20O15 分子量: 1493.92IUPAC Name: See moreSMILES: CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)NInChIKey: TUCDQOGRFHOSKG-ZWFWRLIFSA-NInChI: See more
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Mc-MMAD,强效微管蛋白抑制剂CAS号: 1401963-15-2 Compound CID : 78357802分子式: C51H77N7O9S 分子量: 964.26IUPAC Name: See moreSMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=OInChIKey: OZUQLKHIIRUJRZ-PGBUMTRMSA-NInChI: See more
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三七皂甙 R1CAS号: 80418-24-2分子式: C47H80O18 分子量: 933.14IUPAC Name: See moreSMILES: 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
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NucleozinCAS号: 341001-38-5分子式: C21H19ClN4O4 分子量: 426.85IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanoneSMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])ClInChIKey: OWXBJAPOSQSWAO-UHFFFAOYSA-NInChI: 1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
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CKI-7 盐酸盐CAS号: 1177141-67-1 Compound CID : 16078955分子式: C11H12ClN3O2S · 2HCl 分子量: 358.67IUPAC Name: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochlorideSMILES: C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl.Cl.ClInChIKey: JUAVTXYOCISSSL-UHFFFAOYSA-NInChI: 1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H
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