General Information of the Compound
| Compound ID |
CP0455015
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| Compound Name |
2-{[4-(3-Phenylureido)phenylamino]methyl}-benzoic acid
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| Structure |
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| Formula |
C21H19N3O3
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| Molecular Weight |
361.401
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| Canonical SMILES |
OC(=O)c1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C21H19N3O3/c25-20(26)19-9-5-4-6-15(19)14-22-16-10-12-18(13-11-16)24-21(27)23-17-7-2-1-3-8-17/h1-13,22H,14H2,(H,25,26)(H2,23,24,27)
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| InChIKey |
QOCXMBUYFJZRPF-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