General Information of the Compound
| Compound ID |
CP0849853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-(3-hydroxy-5-(1H-imidazol-1-yl)styryl)phenyl)piperazin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O2
|
||||||||||||||||||
| Molecular Weight |
388.471
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(c2ccc(/C=C/c3cc(O)cc(-n4ccnc4)c3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O2/c1-18(28)25-10-12-26(13-11-25)21-6-4-19(5-7-21)2-3-20-14-22(16-23(29)15-20)27-9-8-24-17-27/h2-9,14-17,29H,10-13H2,1H3/b3-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRGRKVWUFVAKCS-NSCUHMNNSA-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase
Protein ID: PT05184, Steroid 21-hydroxylase