General Information of the Compound
| Compound ID |
CP0558306
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| Compound Name |
4-{[(6-tert-Butyl-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-3-fluorobenzoic acid
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| Structure |
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| Formula |
C28H25FN2O3
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| Molecular Weight |
456.517
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| Canonical SMILES |
Cc1c(nc2ccc(cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)C(C)(C)C)-c1ccccc1
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| InChI |
InChI=1S/C28H25FN2O3/c1-16-24(26(32)31-23-12-10-18(27(33)34)14-21(23)29)20-15-19(28(2,3)4)11-13-22(20)30-25(16)17-8-6-5-7-9-17/h5-15H,1-4H3,(H,31,32)(H,33,34)
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| InChIKey |
OCYFYABJSPCSCT-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