General Information of the Compound
| Compound ID |
CP0511876
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| Compound Name |
1-[6-[(4-tert-butylphenyl)methylamino]-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethanone
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| Structure |
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| Formula |
C31H38N2O
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| Molecular Weight |
454.658
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| Canonical SMILES |
CC(=O)N1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2C(C)(CC1(C)C)c1ccccc1
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| InChI |
InChI=1S/C31H38N2O/c1-22(34)33-28-18-17-26(32-20-23-13-15-24(16-14-23)29(2,3)4)19-27(28)31(7,21-30(33,5)6)25-11-9-8-10-12-25/h8-19,32H,20-21H2,1-7H3
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| InChIKey |
XYOCGNMPEQKUES-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