General Information of the Compound
| Compound ID |
CP0445771
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 4-diethylcarbamoyl-phenyl ester
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| Structure |
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| Formula |
C26H28N2O4
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| Molecular Weight |
432.52
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1
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| InChI |
InChI=1S/C26H28N2O4/c1-4-27(5-2)25(30)18-6-10-21(11-7-18)32-26(31)20-9-13-23-19(16-20)8-12-22-17(3)24(29)14-15-28(22)23/h6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3
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| InChIKey |
NBWCLRVVIODTDE-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