General Information of the Compound
| Compound ID |
CP0360413
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| Compound Name |
2-[[4-(benzylcarbamoyl)phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C19H21NO3
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| Molecular Weight |
311.381
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| Canonical SMILES |
CCC(Cc1ccc(cc1)C(=O)NCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C19H21NO3/c1-2-16(19(22)23)12-14-8-10-17(11-9-14)18(21)20-13-15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3,(H,20,21)(H,22,23)
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| InChIKey |
XWMXYOHQYYHQFP-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