General Information of the Compound
| Compound ID |
CP0464517
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-5-(piperidin-1-yl)pentanamide
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| Structure |
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| Formula |
C25H27F7N2O
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| Molecular Weight |
504.49
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| Canonical SMILES |
Fc1ccc(cc1)[C@H](CCCN1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H27F7N2O/c26-21-8-6-18(7-9-21)22(5-4-12-34-10-2-1-3-11-34)23(35)33-16-17-13-19(24(27,28)29)15-20(14-17)25(30,31)32/h6-9,13-15,22H,1-5,10-12,16H2,(H,33,35)/t22-/m0/s1
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| InChIKey |
JNKOTZQNNNDFHS-QFIPXVFZSA-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