General Information of the Compound
| Compound ID |
CP0413856
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| Compound Name |
4-[4-[(2,6-dimethylphenyl)carbamoyl]quinolin-2-yl]benzoic acid
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| Structure |
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| Formula |
C25H20N2O3
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| Molecular Weight |
396.446
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H20N2O3/c1-15-6-5-7-16(2)23(15)27-24(28)20-14-22(26-21-9-4-3-8-19(20)21)17-10-12-18(13-11-17)25(29)30/h3-14H,1-2H3,(H,27,28)(H,29,30)
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| InChIKey |
ZWZPKDJQEVTKTH-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