General Information of the Compound
| Compound ID |
CP0428966
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| Compound Name |
5-[4-[2-(1-hydroxy-2-methylpropan-2-yl)phenoxy]-3-[(4-methylphenyl)carbamoylamino]phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C32H32N2O6
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| Molecular Weight |
540.616
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)CO)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C32H32N2O6/c1-20-9-13-23(14-10-20)33-31(38)34-26-18-22(21-11-15-27(39-4)24(17-21)30(36)37)12-16-29(26)40-28-8-6-5-7-25(28)32(2,3)19-35/h5-18,35H,19H2,1-4H3,(H,36,37)(H2,33,34,38)
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| InChIKey |
SPYSHPBCDRCXTK-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