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小分子和化合物库
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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4-(4-氯苯基)-2-(2-环戊烯肼基)噻唑(CPTH2)CAS号 : 357649-93-5 Compound CID : 25193530分子式: C14H14ClN3S 分子量: 291.8IUPAC Name: 4-(4-chlorophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amineSMILES: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C1InChIKey: YYTHPXHGWSAKIZ-UHFFFAOYSA-NInChI: InChI=1S/C14H14ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
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甘草素分子式: C15H12O4 分子量: 256.25IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2InChIKey: FURUXTVZLHCCNA-AWEZNQCLSA-NInChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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乔松素CAS号 : 480-39-7分子式: C15H12O4 分子量: 256.25IUPAC Name: (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3InChIKey: URFCJEUYXNAHFI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
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胡椒碱分子式: C17H19NO3 分子量: 285.37IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-oneSMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-NInChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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CAY10680CAS号 : 1439488-21-7 Compound CID : 71680733分子式: C18H16N2O2S 分子量: 324.40IUPAC Name: N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamideSMILES: C1=CC=C(C=C1)CCCC(=O)NC2=NC3=CC=CC=C3C(=O)S2InChIKey: QMBOZLGNPMVERZ-UHFFFAOYSA-NInChI: InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
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STX64CAS号 : 288628-05-7 Compound CID : 5287541分子式: C14H15NO5S 分子量: 309.34IUPAC Name: (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamateSMILES: C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)NInChIKey: DSLPMJSGSBLWRE-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
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4′-（4-溴苄氧基）苯乙酮CAS号 : 694443-80-6 Compound CID : 2195073分子式: C15H13BrO2 分子量: 305.17IUPAC Name: 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanoneSMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)BrInChIKey: UNFAYODHYINMBE-UHFFFAOYSA-NInChI: InChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
