General Information of the Compound
| Compound ID |
CP0390225
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| Compound Name |
3-[4-[(2-Cyanophenoxy)methyl]-2-({[1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C31H34N2O4
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| Molecular Weight |
498.623
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C31H34N2O4/c1-20(2)13-28(26-15-21(3)14-22(4)16-26)33-31(36)27-17-23(9-10-24(27)11-12-30(34)35)19-37-29-8-6-5-7-25(29)18-32/h5-10,14-17,20,28H,11-13,19H2,1-4H3,(H,33,36)(H,34,35)
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| InChIKey |
LMHJZQZWNNKCMM-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