General Information of the Compound
| Compound ID |
CP0554571
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| Compound Name |
1-acetyl-N-[2-(4-methoxyphenyl)ethyl]-2,2,4-trimethyl-4-phenyl-3H-quinoline-6-carboxamide
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| Structure |
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| Formula |
C30H34N2O3
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| Molecular Weight |
470.613
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| Canonical SMILES |
COc1ccc(CCNC(=O)c2ccc3N(C(C)=O)C(C)(C)CC(C)(c4ccccc4)c3c2)cc1
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| InChI |
InChI=1S/C30H34N2O3/c1-21(33)32-27-16-13-23(28(34)31-18-17-22-11-14-25(35-5)15-12-22)19-26(27)30(4,20-29(32,2)3)24-9-7-6-8-10-24/h6-16,19H,17-18,20H2,1-5H3,(H,31,34)
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| InChIKey |
LRYZMVUWQKWISQ-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