General Information of the Compound
| Compound ID |
CP0470442
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| Compound Name |
N-(diaminomethylidene)-4-[1-(4-phenylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H25F3N4O2
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| Molecular Weight |
494.517
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F3N4O2/c28-27(29,30)23-16-21(24(35)33-26(31)32)10-11-22(23)19-12-14-34(15-13-19)25(36)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-11,16,19H,12-15H2,(H4,31,32,33,35)
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| InChIKey |
WJTDWKCHVMWMER-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