General Information of the Compound
| Compound ID |
CP0543473
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| Compound Name |
2-[3-[(4-methylphenyl)carbamoylamino]-4-[2-methylpropyl(propan-2-yl)amino]phenyl]benzoic acid
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CC(C)CN(C(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C28H33N3O3/c1-18(2)17-31(19(3)4)26-15-12-21(23-8-6-7-9-24(23)27(32)33)16-25(26)30-28(34)29-22-13-10-20(5)11-14-22/h6-16,18-19H,17H2,1-5H3,(H,32,33)(H2,29,30,34)
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| InChIKey |
GMSHEWBADIYUBX-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