General Information of the Compound
| Compound ID |
CP0378360
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| Compound Name |
2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-cyclohexyl]-N-pyridin-4-ylmethyl-acetamide
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| Structure |
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| Formula |
C29H28F6N2O2
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| Molecular Weight |
550.543
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCC[C@H](CC(=O)NCc3ccncc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H28F6N2O2/c30-28(31,32)23-13-20(14-24(16-23)29(33,34)35)18-39-25-8-4-7-22(27(25)21-5-2-1-3-6-21)15-26(38)37-17-19-9-11-36-12-10-19/h1-3,5-6,9-14,16,22,25,27H,4,7-8,15,17-18H2,(H,37,38)/t22-,25+,27-/m1/s1
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| InChIKey |
HHQNKWBPRLOSPW-BUALBWRZSA-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