General Information of the Compound
| Compound ID |
CP0482128
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| Compound Name |
3-[4-(2-tert-butylphenoxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]-5-chlorobenzoic acid
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| Structure |
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| Formula |
C31H29ClN2O4
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| Molecular Weight |
529.036
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cc(Cl)cc(c2)C(O)=O)cc1
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| InChI |
InChI=1S/C31H29ClN2O4/c1-19-9-12-24(13-10-19)33-30(37)34-26-18-20(21-15-22(29(35)36)17-23(32)16-21)11-14-28(26)38-27-8-6-5-7-25(27)31(2,3)4/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)
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| InChIKey |
GPBFZCYJYRLJBU-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