General Information of the Compound
| Compound ID |
CP0549100
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| Compound Name |
4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
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| Structure |
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| Formula |
C21H18ClN3O3
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| Molecular Weight |
395.846
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| Canonical SMILES |
Clc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccncc2)cc1
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| InChI |
InChI=1S/C21H18ClN3O3/c22-17-5-1-15(2-6-17)13-24-20(26)14-28-19-7-3-16(4-8-19)21(27)25-18-9-11-23-12-10-18/h1-12H,13-14H2,(H,24,26)(H,23,25,27)
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| InChIKey |
FBILUWKJBDHEKT-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