General Information of the Compound
| Compound ID |
CP0431245
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 2-fluoro-phenyl ester
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| Structure |
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| Formula |
C21H18FNO3
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| Molecular Weight |
351.377
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| Canonical SMILES |
CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1F
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| InChI |
InChI=1S/C21H18FNO3/c1-13-17-8-6-14-12-15(7-9-18(14)23(17)11-10-19(13)24)21(25)26-20-5-3-2-4-16(20)22/h2-5,7,9,12H,6,8,10-11H2,1H3
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| InChIKey |
IDCHZLDLKUOWIX-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