General Information of the Compound
| Compound ID |
CP0572549
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| Compound Name |
3,5-dimethyl-4-[(2-phenylquinoline-4-carbonyl)amino]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 |
Cc1cc(cc(C)c1NC(=O)c1cc(nc2ccccc12)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C25H20N2O3/c1-15-12-18(25(29)30)13-16(2)23(15)27-24(28)20-14-22(17-8-4-3-5-9-17)26-21-11-7-6-10-19(20)21/h3-14H,1-2H3,(H,27,28)(H,29,30)
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| InChIKey |
XFVKGKJMJRFZIM-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