化学生物学
选项
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4-[2-[1-(3-氮杂环丁烷基)-1h-吡唑-5-基] -4-(三氟甲基)苯氧基] -5-氯-2-氟-n-1,3,4-噻二唑-2丁基苯磺酰胺CAS号 : 1354818-96-4 Compound CID : 56599150分子式: C21H15ClF4N6O3S2 分子量: 574.95IUPAC Name: 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideSMILES: C1C(CN1)N2C(=CC=N2)C3=C(C=CC(=C3)C(F)(F)F)OC4=CC(=C(C=C4Cl)S(=O)(=O)NC5=NN=CS5)FInChIKey: XGPDJOZWOGPDLD-UHFFFAOYSA-NInChI: InChI=1S/C21H15ClF4N6O3S2/c22-14-6-19(37(33,34)31-20-30-28-10-36-20)15(23)7-18(14)35-17-2-1-11(21(24,25)26)5-13(17)16-3-4-29-32(16)12-8-27-9-12/h1-7,10,12,27H,8-9H2,(H,30,31)
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(2-氯吡啶-4-基)甲胺CAS号 : 144900-57-2 Compound CID : 2794167分子式: C6H7ClN2 分子量: 142.58IUPAC Name: (2-chloropyridin-4-yl)methanamineSMILES: C1=CN=C(C=C1CN)ClInChIKey: GGHCWJWUOSNCSK-UHFFFAOYSA-NInChI: InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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依拉嗪,EleclazineCAS号 : 1443211-72-0 Compound CID : 71183216分子式: C21H16F3N3O3 分子量: 415.372IUPAC Name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-oneSMILES: C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4InChIKey: YNUAEEJQYHYLMS-UHFFFAOYSA-NInChI: InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2
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Tofogliflozin,抑制剂CAS号 : 903565-83-3 Compound CID : 46908929分子式: C22H26O6 分子量: 386.444IUPAC Name: (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triolSMILES: CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2InChIKey: VWVKUNOPTJGDOB-BDHVOXNPSA-NInChI: InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1