General Information of the Compound
| Compound ID |
CP0399792
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Bromo-pentanoic acid pentyl-((4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H49BrN2O2
|
||||||||||||||||||
| Molecular Weight |
537.627
|
||||||||||||||||||
| Canonical SMILES |
CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCCBr
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H49BrN2O2/c1-5-6-9-20-32(27(34)10-7-8-19-30)25-14-12-22-21-11-13-24-28(2,18-16-26(33)31(24)4)23(21)15-17-29(22,25)3/h21-25H,5-20H2,1-4H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMRMTWUTVVIJSI-IHGFCISLSA-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