General Information of the Compound
| Compound ID |
CP0464518
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentanamide
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| Structure |
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| Formula |
C31H31F7N2O
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| Molecular Weight |
580.588
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| Canonical SMILES |
Fc1ccc(cc1)[C@H](CCCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C31H31F7N2O/c32-27-10-8-24(9-11-27)28(7-4-14-40-15-12-23(13-16-40)22-5-2-1-3-6-22)29(41)39-20-21-17-25(30(33,34)35)19-26(18-21)31(36,37)38/h1-3,5-6,8-11,17-19,23,28H,4,7,12-16,20H2,(H,39,41)/t28-/m0/s1
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| InChIKey |
IOTQSRHJTHYYHC-NDEPHWFRSA-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