General Information of the Compound
| Compound ID |
CP0392562
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 3-methoxycarbonyl-phenyl ester
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| Structure |
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| Formula |
C23H21NO5
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| Molecular Weight |
391.423
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| Canonical SMILES |
COC(=O)c1cccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)c1
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| InChI |
InChI=1S/C23H21NO5/c1-14-19-8-6-15-12-17(7-9-20(15)24(19)11-10-21(14)25)23(27)29-18-5-3-4-16(13-18)22(26)28-2/h3-5,7,9,12-13H,6,8,10-11H2,1-2H3
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| InChIKey |
KDPMZKZPARTUIW-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