General Information of the Compound
| Compound ID |
CP0535719
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| Compound Name |
2-methoxy-5-[3-[(4-methylphenyl)carbamoylamino]-4-(2-methyl-3-prop-2-ynoxyphenoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C32H28N2O6
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| Molecular Weight |
536.584
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(OCC#C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C32H28N2O6/c1-5-17-39-27-7-6-8-28(21(27)3)40-30-16-12-23(22-11-15-29(38-4)25(18-22)31(35)36)19-26(30)34-32(37)33-24-13-9-20(2)10-14-24/h1,6-16,18-19H,17H2,2-4H3,(H,35,36)(H2,33,34,37)
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| InChIKey |
GUDBZLCDGSSODQ-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