General Information of the Compound
| Compound ID |
CP0560245
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| Compound Name |
4-[[4-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C17H18F3N5O
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| Molecular Weight |
365.359
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| Canonical SMILES |
CC1CCCN1c1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N5O/c1-10-3-2-8-25(10)15-13(17(18,19)20)9-22-16(24-15)23-12-6-4-11(5-7-12)14(21)26/h4-7,9-10H,2-3,8H2,1H3,(H2,21,26)(H,22,23,24)
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| InChIKey |
KGOIBABWCFAULY-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