General Information of the Compound
| Compound ID |
CP0507316
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| Compound Name |
N-(diaminomethylidene)-4-[1-(3-methylbutanoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C19H25F3N4O2
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| Molecular Weight |
398.429
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| Canonical SMILES |
CC(C)CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
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| InChI |
InChI=1S/C19H25F3N4O2/c1-11(2)9-16(27)26-7-5-12(6-8-26)14-4-3-13(17(28)25-18(23)24)10-15(14)19(20,21)22/h3-4,10-12H,5-9H2,1-2H3,(H4,23,24,25,28)
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| InChIKey |
MJBPCBPWTRZBTO-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