小分子和化合物库
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SB 206553盐酸盐CAS号: 1197334-04-5 Compound CID : 11957707分子式: C17H16N4O.HCl 分子量: 328.80IUPAC Name: 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochlorideSMILES: CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21.ClInChIKey: VGEMBOFBPSNOIO-UHFFFAOYSA-NInChI: 1S/C17H16N4O.ClH/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H
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NPEC 笼状多巴胺CAS号: 1257326-23-0分子式: C17H18N2O6 分子量: 346.33IUPAC Name: 1-(2-nitrophenyl)ethyl N-[2-(3,4-dihydroxyphenyl)ethyl]carbamateSMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)NCCC2=CC(=C(C=C2)O)OInChIKey: PDNNZLULXSQJGZ-UHFFFAOYSA-NInChI: 1S/C17H18N2O6/c1-11(13-4-2-3-5-14(13)19(23)24)25-17(22)18-9-8-12-6-7-15(20)16(21)10-12/h2-7,10-11,20-21H,8-9H2,1H3,(H,18,22)
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JLK 6,γ-分泌酶介导的βAPP加工抑制剂CAS号: 62252-26-0分子式: C10H8ClNO3 分子量: 225.63IUPAC Name: 7-amino-4-chloro-3-methoxyisochromen-1-oneSMILES: COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)ClInChIKey: AMDGKLWVCUXONP-UHFFFAOYSA-NInChI: 1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3
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脱水淫羊藿素CAS号: 38226-86-7分子式: C21H20O6 分子量: 368.38IUPAC Name: 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-oneSMILES: CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)CInChIKey: PPCHTBBOSVKORE-UHFFFAOYSA-NInChI: 1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
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穗花杉双黄酮CAS号: 1617-53-4分子式: C30H18O10 分子量: 538.46IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)OInChIKey: YUSWMAULDXZHPY-UHFFFAOYSA-NInChI: 1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
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ZK 200775,竞争性非NMDA iGluR拮抗剂CAS号: 161605-73-8分子式: C14H15N3O6F3P 分子量: 409.25IUPAC Name: [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acidSMILES: C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)OInChIKey: WZMQMKNCWDCCMT-UHFFFAOYSA-NInChI: 1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
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SGC 0946,DOT1L抑制剂分子式: C28H40BrN7O4 分子量: 618.57IUPAC Name: 1-[3-[[(2R,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)ureaSMILES: CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=C(C4=C(N=CN=C43)N)Br)O)OInChIKey: IQCKJUKAQJINMK-HUBRGWSESA-NInChI: See more
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NNC 26-9100,sst4激动剂CAS号: 199522-35-5分子式: C22H25N6Cl2SBr 分子量: 556.35IUPAC Name: 1-[3-[(5-bromopyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thioureaSMILES: C1=CC(=C(C=C1CN(CCCNC(=S)NCCCC2=CN=CN2)C3=NC=C(C=C3)Br)Cl)ClInChIKey: UREJDUPKGMFJRU-UHFFFAOYSA-NInChI: 1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)
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MRK 560,γ-分泌酶抑制剂CAS号: 677772-84-8分子式: C19H17ClF5NO4S3 分子量: 517.92IUPAC Name: N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamideSMILES: C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)ClInChIKey: WDZVWDXOIGQJIO-UHFFFAOYSA-NInChI: 1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2
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6-羟基褪黑素CAS号: 63762-74-3 EC号: 636-315-0分子式: C13H15ClN2O2 分子量: 266.73IUPAC Name: N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)ClInChIKey: LUINDDOUWHRIPW-UHFFFAOYSA-NInChI: 1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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腺苷 5'-三磷酸 二钠盐 水合物CAS号: 34369-07-8 Compound CID : 16218877分子式: C10H14N5Na2O13P3·xH2O 分子量: 551.14(anhydrous basis)IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrateSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.O.[Na+].[Na+]InChIKey: NTBQNWBHIXNPRU-MSQVLRTGSA-LInChI: See more
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D -(+)-麦芽糖 一水合物分子式: C12H22O11•H2O 分子量: 360.31IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrateSMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.OInChIKey: HBDJFVFTHLOSDW-DNDLZOGFSA-NInChI: 1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
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