General Information of the Compound
| Compound ID |
CP0390192
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| Compound Name |
3-(4-(Phenoxymethyl)-2-{[(1-phenylbutyl)amino]carbonyl}phenyl)propanoic acid
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| Structure |
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| Formula |
C27H29NO4
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| Molecular Weight |
431.532
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| Canonical SMILES |
CCCC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C27H29NO4/c1-2-9-25(22-10-5-3-6-11-22)28-27(31)24-18-20(14-15-21(24)16-17-26(29)30)19-32-23-12-7-4-8-13-23/h3-8,10-15,18,25H,2,9,16-17,19H2,1H3,(H,28,31)(H,29,30)
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| InChIKey |
BWFKJMIVJDOCKH-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