General Information of the Compound
| Compound ID |
CP0426696
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| Compound Name |
N-(diaminomethylidene)-4-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H23F3N6O2
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| Molecular Weight |
484.482
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)-n2ccnc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N6O2/c25-24(26,27)20-13-17(21(34)31-23(28)29)3-6-19(20)15-7-10-32(11-8-15)22(35)16-1-4-18(5-2-16)33-12-9-30-14-33/h1-6,9,12-15H,7-8,10-11H2,(H4,28,29,31,34)
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| InChIKey |
HNLFHGQATJIWEA-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