General Information of the Compound
| Compound ID |
CP0392042
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid isopropyl ester
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| Structure |
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| Formula |
C18H21NO3
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| Molecular Weight |
299.37
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| Canonical SMILES |
CC(C)OC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1
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| InChI |
InChI=1S/C18H21NO3/c1-11(2)22-18(21)14-5-7-16-13(10-14)4-6-15-12(3)17(20)8-9-19(15)16/h5,7,10-11H,4,6,8-9H2,1-3H3
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| InChIKey |
OBMUUAJZUYBTNJ-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
Protein ID: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Protein ID: PT01489, 3-oxo-5-alpha-steroid 4-dehydrogenase 2