General Information of the Compound
| Compound ID |
CP0464512
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-methylpiperidin-1-yl)ethylamino)-2-phenylacetamide
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| Structure |
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| Formula |
C25H29F6N3O
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| Molecular Weight |
501.515
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| Canonical SMILES |
CC1CCN(CCN[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)CC1
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| InChI |
InChI=1S/C25H29F6N3O/c1-17-7-10-34(11-8-17)12-9-32-22(19-5-3-2-4-6-19)23(35)33-16-18-13-20(24(26,27)28)15-21(14-18)25(29,30)31/h2-6,13-15,17,22,32H,7-12,16H2,1H3,(H,33,35)/t22-/m0/s1
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| InChIKey |
LMXHEPMINMFJIS-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