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KIN

概要
表記:1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
組成式:C19 H14 F3 N3 O2
電荷:0
化学式量:373.329 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.041-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
OpenEye OEToolkits1.5.03-(4-pyridin-4-yloxyphenyl)-1-[3-(trifluoromethyl)phenyl]urea

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04FC(F)(F)c1cccc(c1)NC(=O)Nc3ccc(Oc2ccncc2)cc3
SMILES_CANONICALCACTVS3.341FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
SMILESCACTVS3.341FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F
InChIInChI1.03InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)
InChIKeyInChI1.03DDDLGNOZDKDSEG-UHFFFAOYSA-N

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件を2024-07-24に公開中

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