General Information of the Compound
| Compound ID |
CP0360414
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| Compound Name |
2-[[4-[(2-methylphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
CCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C)C(O)=O
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| InChI |
InChI=1S/C20H23NO3/c1-3-16(20(23)24)12-15-8-10-17(11-9-15)19(22)21-13-18-7-5-4-6-14(18)2/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
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| InChIKey |
BPXISJBZFLMUBC-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