General Information of the Compound
| Compound ID |
CP0433540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 4-propylcarbamoyl-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O4
|
||||||||||||||||||
| Molecular Weight |
418.493
|
||||||||||||||||||
| Canonical SMILES |
CCCNC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O4/c1-3-13-26-24(29)17-4-8-20(9-5-17)31-25(30)19-7-11-22-18(15-19)6-10-21-16(2)23(28)12-14-27(21)22/h4-5,7-9,11,15H,3,6,10,12-14H2,1-2H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQCNOPZLUIHOQR-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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