General Information of the Compound
| Compound ID |
CP0517354
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| Compound Name |
2-[4-[[butyl-(2-phenylacetyl)amino]methyl]phenyl]benzoic acid
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
CCCCN(Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C26H27NO3/c1-2-3-17-27(25(28)18-20-9-5-4-6-10-20)19-21-13-15-22(16-14-21)23-11-7-8-12-24(23)26(29)30/h4-16H,2-3,17-19H2,1H3,(H,29,30)
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| InChIKey |
IRHFDAOWKWWBSC-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