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白术内酯IICAS号 : 73069-14-4 Compound CID : 14448070分子式: C15H20O2 分子量: 232.32IUPAC Name: (4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-oneSMILES: CC1=C2CC3C(=C)CCCC3(CC2OC1=O)CInChIKey: OQYBLUDOOFOBPO-KCQAQPDRSA-NInChI: InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1
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甘氨鹅脱氧胆酸分子式: C26H43NO5 分子量: 449.62IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acidSMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: GHCZAUBVMUEKKP-GYPHWSFCSA-NInChI: InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
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HJC0152,STAT3 的抑制剂CAS号 : 1420290-99-8 Compound CID : 71719978分子式: C15H14Cl3N3O4 分子量: 406.64IUPAC Name: 2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide;hydrochlorideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OCCN.ClInChIKey: XRZHLOYBZOONSZ-UHFFFAOYSA-NInChI: InChI=1S/C15H13Cl2N3O4.ClH/c16-9-1-4-14(24-6-5-18)11(7-9)15(21)19-13-3-2-10(20(22)23)8-12(13)17;/h1-4,7-8H,5-6,18H2,(H,19,21);1H
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6-[(1E)-2-(3,4-二羟基苯基)乙烯基]-4-羟基-2H-吡喃-2-酮（Hispidin）分子式: C13H10O5 分子量: 246.22IUPAC Name: 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-oneSMILES: C1=CC(=C(C=C1C=CC2=CC(=CC(=O)O2)O)O)OInChIKey: SGJNQVTUYXCBKH-HNQUOIGGSA-NInChI: InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+
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培哚普利叔丁胺盐CAS号 : 107133-36-8 Compound CID : 441313分子式: C23H43N3O5 分子量: 441.6IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amineSMILES: CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)NInChIKey: IYNMDWMQHSMDDE-MHXJNQAMSA-NInChI: InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1
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匹莫齐特分子式: C28H29F2N3O 分子量: 461.55IUPAC Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-oneSMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)FInChIKey: YVUQSNJEYSNKRX-UHFFFAOYSA-NInChI: InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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来他替尼CAS号 : 111358-88-4 Compound CID : 126565分子式: C26H21N3O4 分子量: 439.46IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-oneSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OInChIKey: UIARLYUEJFELEN-LROUJFHJSA-NInChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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葫芦素I分子式: C30H42O7 分子量: 514.66IUPAC Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dioneSMILES: CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)CInChIKey: NISPVUDLMHQFRQ-MKIKIEMVSA-NInChI: InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
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GYY 4137,水溶性，缓释H 2 S供体CAS号 : 106740-09-4 Compound CID : 46937261分子式: C11H16NO2PS2·C4H9NO 分子量: 376.47IUPAC Name: (4-methoxyphenyl)-morpholin-4-yl-sulfanyl-sulfanylidene-λ5-phosphane;morpholineSMILES: COC1=CC=C(C=C1)P(=S)(N2CCOCC2)S.C1COCCN1InChIKey: YZMHNNLDUWRZFW-UHFFFAOYSA-NInChI: InChI=1S/C11H16NO2PS2.C4H9NO/c1-13-10-2-4-11(5-3-10)15(16,17)12-6-8-14-9-7-12;1-3-6-4-2-5-1/h2-5H,6-9H2,1H3,(H,16,17);5H,1-4H2
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癌细胞干抑制剂（Napabucasin）CAS号 : 83280-65-3 Compound CID : 10331844分子式: C14H8O4 分子量: 240.21IUPAC Name: 2-acetylbenzo[f][1]benzofuran-4,9-dioneSMILES: CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=OInChIKey: DPHUWDIXHNQOSY-UHFFFAOYSA-NInChI: InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
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Galiellalactone,STAT3信号转导抑制剂CAS号 : 133613-71-5 Compound CID : 11310070分子式: C11H14O3 分子量: 194.23IUPAC Name: (4R,7R,9S,11S)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-oneSMILES: CC1CC2CCC3C2(C(=C1)C(=O)O3)OInChIKey: SOIISBQQYAGDKM-QJSROADHSA-NInChI: InChI=1S/C11H14O3/c1-6-4-7-2-3-9-11(7,13)8(5-6)10(12)14-9/h5-7,9,13H,2-4H2,1H3/t6-,7+,9+,11-/m0/s1
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RSVA 405,AMPK激活剂CAS号 : 140405-36-3 Compound CID : 135400298分子式: C17H20N4O2 分子量: 312.37IUPAC Name: N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamideSMILES: CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=NC=C2)OInChIKey: GWQPCBPAOAFXSJ-XDHOZWIPSA-NInChI: InChI=1S/C17H20N4O2/c1-3-21(4-2)15-6-5-14(16(22)11-15)12-19-20-17(23)13-7-9-18-10-8-13/h5-12,22H,3-4H2,1-2H3,(H,20,23)/b19-12+
![6-[(1E)-2-(3,4-二羟基苯基)乙烯基]-4-羟基-2H-吡喃-2-酮（Hispidin）](https://mgt-dev-zzt.env.aladdin-e.com/media/catalog/product/cache/5cebb9429cfefb26230b29f242aa3132/H/3/H303973.png)
