General Information of the Compound
| Compound ID |
CP0502666
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| Compound Name |
(+/-)-3-((1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)(phenyl)carbamoyl)benzoic acid
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| Structure |
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| Formula |
C31H26N2O4
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| Molecular Weight |
490.559
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| Canonical SMILES |
CC1CC(N(C(=O)c2cccc(c2)C(O)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
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| InChI |
InChI=1S/C31H26N2O4/c1-21-19-28(26-17-8-9-18-27(26)32(21)29(34)22-11-4-2-5-12-22)33(25-15-6-3-7-16-25)30(35)23-13-10-14-24(20-23)31(36)37/h2-18,20-21,28H,19H2,1H3,(H,36,37)
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| InChIKey |
PDRXBJRVQAFAFO-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