General Information of the Compound
| Compound ID |
CP0410717
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| Compound Name |
N-[2-[[1-[4-(4-hydroxyphenyl)cyclohexyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H32F3N3O3
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| Molecular Weight |
503.565
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| Canonical SMILES |
Oc1ccc(cc1)C1CCC(CC1)N1CCC(CC1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H32F3N3O3/c28-27(29,30)21-3-1-2-20(16-21)26(36)31-17-25(35)32-22-12-14-33(15-13-22)23-8-4-18(5-9-23)19-6-10-24(34)11-7-19/h1-3,6-7,10-11,16,18,22-23,34H,4-5,8-9,12-15,17H2,(H,31,36)(H,32,35)
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| InChIKey |
WBSLDQAQDPOHLL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound