General Information of the Compound
| Compound ID |
CP0422941
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| Compound Name |
2-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C17H17ClN2O4
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| Molecular Weight |
348.786
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| Canonical SMILES |
COc1ccc(CC(NC(=O)Nc2ccc(Cl)cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C17H17ClN2O4/c1-24-14-8-2-11(3-9-14)10-15(16(21)22)20-17(23)19-13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3,(H,21,22)(H2,19,20,23)
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| InChIKey |
PCGBEQASVBWRHL-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