General Information of the Compound
| Compound ID |
CP0539284
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| Compound Name |
5-[4-(3-tert-butylphenoxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C32H32N2O5
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| Molecular Weight |
524.617
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(c2)C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C32H32N2O5/c1-20-9-13-24(14-10-20)33-31(37)34-27-18-22(21-11-15-28(38-5)26(17-21)30(35)36)12-16-29(27)39-25-8-6-7-23(19-25)32(2,3)4/h6-19H,1-5H3,(H,35,36)(H2,33,34,37)
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| InChIKey |
HVUWDEGQYVEWDO-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