General Information of the Compound
| Compound ID |
CP0390226
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| Compound Name |
3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino}-carbonyl)-4-[(3-methylphenoxy)methyl]phenyl}propanoic acid
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| Structure |
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| Formula |
C31H37NO4
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| Molecular Weight |
487.64
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2cccc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C31H37NO4/c1-20(2)13-29(26-15-22(4)14-23(5)16-26)32-31(35)28-18-24(9-10-25(28)11-12-30(33)34)19-36-27-8-6-7-21(3)17-27/h6-10,14-18,20,29H,11-13,19H2,1-5H3,(H,32,35)(H,33,34)
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| InChIKey |
VQNOXGXKPGYDCD-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