General Information of the Compound
| Compound ID |
CP0559355
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| Compound Name |
N-[1-acetyl-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-6-yl]-4-phenylbenzamide
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| Structure |
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| Formula |
C33H32N2O3
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| Molecular Weight |
504.63
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| Canonical SMILES |
CC(=O)N1c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2C(C)(CC1(C)C)c1ccc(O)cc1
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| InChI |
InChI=1S/C33H32N2O3/c1-22(36)35-30-19-16-27(34-31(38)25-12-10-24(11-13-25)23-8-6-5-7-9-23)20-29(30)33(4,21-32(35,2)3)26-14-17-28(37)18-15-26/h5-20,37H,21H2,1-4H3,(H,34,38)
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| InChIKey |
BOSIOWJWBMFJNH-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