General Information of the Compound
| Compound ID |
CP0432886
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| Compound Name |
3-[(3-methoxyphenyl)methyl-pentanoylamino]benzoic acid
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
CCCCC(=O)N(Cc1cccc(OC)c1)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C20H23NO4/c1-3-4-11-19(22)21(14-15-7-5-10-18(12-15)25-2)17-9-6-8-16(13-17)20(23)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,24)
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| InChIKey |
HHUULJUDLVFWPS-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