General Information of the Compound
| Compound ID |
CP0558612
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| Compound Name |
5-[4-(2-tert-butylphenoxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]-2-ethoxybenzoic acid
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| Structure |
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| Formula |
C33H34N2O5
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| Molecular Weight |
538.644
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| Canonical SMILES |
CCOc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C33H34N2O5/c1-6-39-28-17-13-22(19-25(28)31(36)37)23-14-18-30(40-29-10-8-7-9-26(29)33(3,4)5)27(20-23)35-32(38)34-24-15-11-21(2)12-16-24/h7-20H,6H2,1-5H3,(H,36,37)(H2,34,35,38)
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| InChIKey |
YULMFQUPWOBYBL-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