General Information of the Compound
| Compound ID |
CP0374398
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| Compound Name |
N-(1-acetyl-8-methoxy-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-phenylbenzamide
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| Structure |
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| Formula |
C34H34N2O3
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| Molecular Weight |
518.657
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)cc2c1N(C(C)=O)C(C)(C)CC2(C)c1ccccc1
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| InChI |
InChI=1S/C34H34N2O3/c1-23(37)36-31-29(34(4,22-33(36,2)3)27-14-10-7-11-15-27)20-28(21-30(31)39-5)35-32(38)26-18-16-25(17-19-26)24-12-8-6-9-13-24/h6-21H,22H2,1-5H3,(H,35,38)
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| InChIKey |
MZFKNJKCVTUDFM-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