General Information of the Compound
| Compound ID |
CP0414725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-difluorophenyl)-5-[3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F2N7S
|
||||||||||||||||||
| Molecular Weight |
457.554
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDPJGUWWXSDVTP-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2