General Information of the Compound
| Compound ID |
CP0375770
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| Compound Name |
3-(4-(Phenoxymethyl)-2-{[(1-phenylethyl)amino]carbonyl}phenyl)propanoic acid
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| Structure |
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C25H25NO4/c1-18(20-8-4-2-5-9-20)26-25(29)23-16-19(12-13-21(23)14-15-24(27)28)17-30-22-10-6-3-7-11-22/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)(H,27,28)
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| InChIKey |
ONYZBXNUJWRHLM-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