Fatty Acid Synthase (FASN)
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G 28UCM,FASN抑制剂CAS号 : 1094451-90-7 Compound CID : 24896615分子式: C24H16O10 分子量: 464.38IUPAC Name: [4-(3,4,5-trihydroxybenzoyl)oxynaphthalen-2-yl] 3,4,5-trihydroxybenzoateSMILES: C1=CC=C2C(=C1)C=C(C=C2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: KJCWIWDPTNVWRX-UHFFFAOYSA-NInChI: InChI=1S/C24H16O10/c25-16-6-12(7-17(26)21(16)29)23(31)33-14-5-11-3-1-2-4-15(11)20(10-14)34-24(32)13-8-18(27)22(30)19(28)9-13/h1-10,25-30H
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GSK 2194069, (hFASN)抑制剂CAS号 : 1332331-08-4 Compound CID : 67376285分子式: C25H24N4O3 分子量: 428.48IUPAC Name: 4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-oneSMILES: C1CC1C(=O)N2CCC(C2)CC3=NNC(=O)N3C4=CC=C(C=C4)C5=CC6=C(C=C5)OC=C6InChIKey: AQTPWCUIYUOEMG-INIZCTEOSA-NInChI: InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1
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辅酶A钠盐 水合物CAS号 : 55672-92-9 Compound CID : 91872616分子式: C21H35N7O16P3S • Na [H2O] 分子量: 807.5IUPAC Name: sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;hydrateSMILES: O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCS)=O)=O)(O)=O)(O)=O)[C@H]1OP([O-])(O)=O.[Na+].OInChIKey: SYTRWOCXZXQBPW-CLVRNSBASA-MInChI: InChI=1S/C21H36N7O16P3S.Na.H2O/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;1H2/q;+1;/p-1/t11-,14-,15-,16+,20-;;/m1../s1
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3β-羟基-5,24-胆甾二烯分子式: C27H44O 分子量: 384.64IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: AVSXSVCZWQODGV-DPAQBDIFSA-NInChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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脱氧土大黄苷CAS号 : 30197-14-9 Compound CID : 5316606分子式: C21H24O8 分子量: 404.41IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OInChIKey: MFMQRDLLSRLUJY-DXKBKAGUSA-NInChI: InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
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石蒜碱分子式: C16H17NO4 分子量: 287.31IUPAC Name: (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diolSMILES: C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4InChIKey: XGVJWXAYKUHDOO-DANNLKNASA-NInChI: InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1
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FasnallCAS号 : 929978-58-5 Compound CID : 16230362分子式: C19H22N4S 分子量: 338.47IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amineSMILES: CC1=C(SC2=NC=NC(=C12)NC3CCN(C3)CC4=CC=CC=C4)CInChIKey: VSXRMURGJRAOCU-UHFFFAOYSA-NInChI: InChI=1S/C19H22N4S/c1-13-14(2)24-19-17(13)18(20-12-21-19)22-16-8-9-23(11-16)10-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,20,21,22)
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PF 429242CAS号 : 947303-87-9 Compound CID : 23661637分子式: C25H35N3O2 分子量: 409.58IUPAC Name: 4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamideSMILES: CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3InChIKey: XKPJTOHUPQWSOJ-HSZRJFAPSA-NInChI: InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1
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FT113CAS号 : 1630808-89-7 Compound CID : 118621601分子式: C22H20FN3O4 分子量: 409.41IUPAC Name: [4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanoneSMILES: C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5)F)OInChIKey: DSTWHRGOCUOKDE-UHFFFAOYSA-NInChI: InChI=1S/C22H20FN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2
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脂肪抑制素CAS号 : 125256-00-0 Compound CID : 1889993分子式: C18H18N2S 分子量: 294.41IUPAC Name: 4-(4-methylphenyl)-2-(2-propylpyridin-4-yl)-1,3-thiazoleSMILES: CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)CInChIKey: ZROSUBKIGBSZCG-UHFFFAOYSA-NInChI: InChI=1S/C18H18N2S/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3
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长梗冬青苷CAS号 : 42719-32-4 Compound CID : 14286954分子式: C36H58O10 分子量: 650.84IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateSMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)OInChIKey: LARPFJIXBULVPK-FBAXZNBGSA-NInChI: InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1