General Information of the Compound
| Compound ID |
CP0910976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)-4-(pyridin-3-ylsulfonyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25FN4O2S
|
||||||||||||||||||
| Molecular Weight |
500.599
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1cccnc1)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25FN4O2S/c29-26-19-23(18-25(20-26)24-9-12-30-13-10-24)4-3-22-5-7-27(8-6-22)32-14-16-33(17-15-32)36(34,35)28-2-1-11-31-21-28/h1-13,18-21H,14-17H2/b4-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHOHIIZKKBFRFQ-ONEGZZNKSA-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