General Information of the Compound
| Compound ID |
CP0391666
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| Compound Name |
6-(4-methylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H20F3N5O
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| Molecular Weight |
379.386
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| Canonical SMILES |
CN1CCN(CC1)c1cc(ncn1)C(=O)NCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N5O/c1-25-5-7-26(8-6-25)16-10-15(23-12-24-16)17(27)22-11-13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,27)
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| InChIKey |
FEWLPVAMUXXYFF-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