General Information of the Compound
| Compound ID |
CP0198224
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| Compound Name |
3-[[2-[3-(hydroxymethyl)phenyl]quinoline-4-carbonyl]amino]-2,4-dimethylbenzoic acid
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| Structure |
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| Formula |
C26H22N2O4
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| Molecular Weight |
426.472
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| Canonical SMILES |
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(nc2ccccc12)-c1cccc(CO)c1
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| InChI |
InChI=1S/C26H22N2O4/c1-15-10-11-19(26(31)32)16(2)24(15)28-25(30)21-13-23(18-7-5-6-17(12-18)14-29)27-22-9-4-3-8-20(21)22/h3-13,29H,14H2,1-2H3,(H,28,30)(H,31,32)
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| InChIKey |
VQFZRPKSVVNWLK-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