General Information of the Compound
| Compound ID |
CP0455572
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| Compound Name |
N-[1-acetyl-4-(2-methoxyphenyl)-2,2,4-trimethyl-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 |
COc1ccccc1C1(C)CC(C)(C)N(C(C)=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc12
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| InChI |
InChI=1S/C34H34N2O3/c1-23(37)36-30-20-19-27(35-32(38)26-17-15-25(16-18-26)24-11-7-6-8-12-24)21-29(30)34(4,22-33(36,2)3)28-13-9-10-14-31(28)39-5/h6-21H,22H2,1-5H3,(H,35,38)
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| InChIKey |
SJYQFXHAAASNOU-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