General Information of the Compound
| Compound ID |
CP0476678
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| Compound Name |
2-methoxy-5-[3-[(4-methylphenyl)carbamoylamino]-4-(2-propylphenoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C31H30N2O5
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| Molecular Weight |
510.59
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| Canonical SMILES |
CCCc1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccc(OC)c(c1)C(O)=O
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| InChI |
InChI=1S/C31H30N2O5/c1-4-7-21-8-5-6-9-27(21)38-29-17-13-23(22-12-16-28(37-3)25(18-22)30(34)35)19-26(29)33-31(36)32-24-14-10-20(2)11-15-24/h5-6,8-19H,4,7H2,1-3H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
UKSHAFQHHFCSFG-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