General Information of the Compound
| Compound ID |
CP0501138
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-phenyl-2-(2-(4-phenylpiperidin-1-yl)ethylamino)acetamide
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| Structure |
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| Formula |
C30H31F6N3O
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| Molecular Weight |
563.586
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)[C@@H](NCCN2CCC(CC2)c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H31F6N3O/c31-29(32,33)25-17-21(18-26(19-25)30(34,35)36)20-38-28(40)27(24-9-5-2-6-10-24)37-13-16-39-14-11-23(12-15-39)22-7-3-1-4-8-22/h1-10,17-19,23,27,37H,11-16,20H2,(H,38,40)/t27-/m0/s1
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| InChIKey |
GMSUBXAFZHGFIG-MHZLTWQESA-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