General Information of the Compound
| Compound ID |
CP0315794
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| Compound Name |
3-{[4-(3-Phenylureido)phenylamino]methyl}-benzoic acid methyl ester
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| Structure |
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| Formula |
C22H21N3O3
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| Molecular Weight |
375.428
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| Canonical SMILES |
COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C22H21N3O3/c1-28-21(26)17-7-5-6-16(14-17)15-23-18-10-12-20(13-11-18)25-22(27)24-19-8-3-2-4-9-19/h2-14,23H,15H2,1H3,(H2,24,25,27)
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| InChIKey |
PAJSJBLTHMYPMY-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