General Information of the Compound
| Compound ID |
CP0957608
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| Compound Name |
N-(6-(4-(2-hydroxybenzyl)piperazin-1-yl)pyridin-3-yl)-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H23F3N4O2
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| Molecular Weight |
456.468
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| Canonical SMILES |
O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-3-2-6-19(20)23(33)29-18-9-10-22(28-15-18)31-13-11-30(12-14-31)16-17-5-1-4-8-21(17)32/h1-10,15,32H,11-14,16H2,(H,29,33)
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| InChIKey |
BFLINSZGQJNDHH-UHFFFAOYSA-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