General Information of the Compound
| Compound ID |
CP0486149
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| Compound Name |
2-[4-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid
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| Formula |
C27H29NO3
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| Molecular Weight |
415.533
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| Canonical SMILES |
CCCCN(Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C27H29NO3/c1-2-3-19-28(26(29)18-15-21-9-5-4-6-10-21)20-22-13-16-23(17-14-22)24-11-7-8-12-25(24)27(30)31/h4-14,16-17H,2-3,15,18-20H2,1H3,(H,30,31)
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| InChIKey |
JPGVWEAVKAKKRO-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