General Information of the Compound
| Compound ID |
CP0395505
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| Compound Name |
2-[4-Methoxy-3-(4-methoxy-benzylcarbamoyl)-benzyl]-butyric acid
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| Structure |
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| Formula |
C21H25NO5
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| Molecular Weight |
371.433
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(OC)cc1)C(O)=O
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| InChI |
InChI=1S/C21H25NO5/c1-4-16(21(24)25)11-15-7-10-19(27-3)18(12-15)20(23)22-13-14-5-8-17(26-2)9-6-14/h5-10,12,16H,4,11,13H2,1-3H3,(H,22,23)(H,24,25)
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| InChIKey |
MFLWROATQYHEKE-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