General Information of the Compound
| Compound ID |
CP0476679
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| Compound Name |
5-[4-(2-ethylphenoxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C30H28N2O5
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| Molecular Weight |
496.563
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| Canonical SMILES |
CCc1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccc(OC)c(c1)C(O)=O
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| InChI |
InChI=1S/C30H28N2O5/c1-4-20-7-5-6-8-26(20)37-28-16-12-22(21-11-15-27(36-3)24(17-21)29(33)34)18-25(28)32-30(35)31-23-13-9-19(2)10-14-23/h5-18H,4H2,1-3H3,(H,33,34)(H2,31,32,35)
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| InChIKey |
KMWQNJIFIIDBOG-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