General Information of the Compound
| Compound ID |
CP0448543
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| Compound Name |
4-Chloro-2-(3-pyridin-3-yl-ureido)-benzoic acid
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| Structure |
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| Formula |
C13H10ClN3O3
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| Molecular Weight |
291.694
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| Canonical SMILES |
OC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccnc1
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| InChI |
InChI=1S/C13H10ClN3O3/c14-8-3-4-10(12(18)19)11(6-8)17-13(20)16-9-2-1-5-15-7-9/h1-7H,(H,18,19)(H2,16,17,20)
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| InChIKey |
QOUSBCLXSAXYBY-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