小分子和化合物库
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替普罗肽CAS号: 35115-60-7分子式: C53H76N14O12 分子量: 1101.26IUPAC Name: See moreSMILES: CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C4CCCN4C(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C7CCC(=O)N7InChIKey: UUUHXMGGBIUAPW-CSCXCSGISA-NInChI: See more
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毛地黄毒苷配基CAS号: 143-62-4分子式: C23H34O4 分子量: 374.52IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneSMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OInChIKey: XZTUSOXSLKTKJQ-CESUGQOBSA-NInChI: 1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
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(1E,4E)-1-(4-羟基-3,5-二甲氧基苯基)-5-(3,4,5-三甲氧基苯基)-1,4-戊二烯-3-酮CAS号: 1217503-60-0分子式: C22H24O7 分子量: 400.43IUPAC Name: (1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-oneSMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OCInChIKey: SKZNJIJSGSQNJQ-CDJQDVQCSA-NInChI: 1S/C22H24O7/c1-25-17-10-14(11-18(26-2)21(17)24)6-8-16(23)9-7-15-12-19(27-3)22(29-5)20(13-15)28-4/h6-13,24H,1-5H3/b8-6+,9-7+
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IQ-1,Wnt途径激活剂CAS号: 331001-62-8 Compound CID : 5721207分子式: C21H22N4O2 分子量: 362.42IUPAC Name: (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamideSMILES: CC(=O)C1=CC=C(C=C1)NN=C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)NInChIKey: ALJIEVIJBAJISI-PLRJNAJWSA-NInChI: 1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,24H,12H2,1-3H3,(H2,22,27)/b25-19-
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鸦胆子苦醇CAS号: 14907-98-3分子式: C26H32O11 分子量: 520.53IUPAC Name: methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylateSMILES: CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OInChIKey: ZZZYHIMVKOHVIH-VILODJCFSA-NInChI: See more
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ZLN005,PGC-1α转录激活因子CAS号: 49671-76-3 Compound CID : 899323分子式: C17H18N2 分子量: 250.34IUPAC Name: 2-(4-tert-butylphenyl)-1H-benzimidazoleSMILES: CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2InChIKey: LQUNNCQSFFKSSK-UHFFFAOYSA-NInChI: 1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)
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ZCL 278,Cdc42抑制剂CAS号: 587841-73-4 Compound CID : 1791111分子式: C21H19BrClN5O4S2 分子量: 584.89IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]acetamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl)CInChIKey: XKZDWYDHEBCGCG-UHFFFAOYSA-NInChI: 1S/C21H19BrClN5O4S2/c1-12-9-13(2)25-20(24-12)28-34(30,31)16-6-4-15(5-7-16)26-21(33)27-19(29)11-32-18-8-3-14(22)10-17(18)23/h3-10H,11H2,1-2H3,(H,24,25,28)(H2,26,27,29,33)
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THDOC,GABAA受体的正调节剂CAS号: 567-02-2分子式: C21H34O3 分子量: 334.49IUPAC Name: 2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneSMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)OInChIKey: CYKYBWRSLLXBOW-GDYGHMJCSA-NInChI: 1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
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SB 224289 盐酸盐CAS号: 180084-26-8 Compound CID : 11226716分子式: C32H32N4O3.HCl 分子量: 557.09IUPAC Name: [4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochlorideSMILES: CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)N4CCC5=CC6=C(C=C54)C7(CCN(CC7)C)CO6.ClInChIKey: GKGKBZYMDILCOF-UHFFFAOYSA-NInChI: 1S/C32H32N4O3.ClH/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32;/h4-9,16-18H,10-15,19H2,1-3H3;1H
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盐酸吡咯他丁CAS号: 1781882-65-2 Compound CID : 78243739分子式: C31H32N8O5.5HCl 分子量: 778.94IUPAC Name: 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;pentahydrochlorideSMILES: C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN.Cl.Cl.Cl.Cl.ClInChIKey: SRIZPFGTXSQRFM-UHFFFAOYSA-NInChI: See more
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Pladienolide B,mRNA剪接抑制剂CAS号: 445493-23-2分子式: C30H48O8 分子量: 536.70IUPAC Name: [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetateSMILES: CCC(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)OInChIKey: SDOUORKJIJYJNW-QHOUZYGJSA-NInChI: See more
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Chemerin-9,小鼠CAS号: 686324-96-9 Compound CID : 11193994分子式: C51H68N10O12 分子量: 1013.16IUPAC Name: See moreSMILES: CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)O)NC(=O)C(CC4=CC=CC=C4)NInChIKey: LJNIVNOHMNNKET-YOPQPAPTSA-NInChI: See more
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