General Information of the Compound
| Compound ID |
CP0559820
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| Compound Name |
3-benzoyl-2-methyl-4-(2-methylpropyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
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| Structure |
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| Formula |
C21H25NO2
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| Molecular Weight |
323.436
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| Canonical SMILES |
CC(C)CC1C(C(=O)c2ccccc2)=C(C)NC2=C1C(=O)CCC2
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| InChI |
InChI=1S/C21H25NO2/c1-13(2)12-16-19(21(24)15-8-5-4-6-9-15)14(3)22-17-10-7-11-18(23)20(16)17/h4-6,8-9,13,16,22H,7,10-12H2,1-3H3
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| InChIKey |
RJFFDDLCRGJECN-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