General Information of the Compound
| Compound ID |
CP0378864
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| Compound Name |
N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide
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| Structure |
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| Formula |
C27H27ClN2O2
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| Molecular Weight |
446.978
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| Canonical SMILES |
CC(=O)N1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(C)(CC1(C)C)c1ccccc1
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| InChI |
InChI=1S/C27H27ClN2O2/c1-18(31)30-24-15-14-22(29-25(32)19-10-12-21(28)13-11-19)16-23(24)27(4,17-26(30,2)3)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,29,32)
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| InChIKey |
XLSXMUPFMSVFQJ-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