General Information of the Compound
| Compound ID |
CP0429912
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| Compound Name |
3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(3,4-dimethoxyphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C31H34N2O6
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| Molecular Weight |
530.621
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| Canonical SMILES |
COc1ccc(cc1OC)C(CC(C)C)NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O
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| InChI |
InChI=1S/C31H34N2O6/c1-20(2)14-27(24-10-12-28(37-3)29(17-24)38-4)33-31(36)26-16-22(8-9-23(26)11-13-30(34)35)19-39-25-7-5-6-21(15-25)18-32/h5-10,12,15-17,20,27H,11,13-14,19H2,1-4H3,(H,33,36)(H,34,35)
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| InChIKey |
HKMMZKDOAJRAAE-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