General Information of the Compound
| Compound ID |
CP0404660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methylphenyl)-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 |
C23H29N7S
|
||||||||||||||||||
| Molecular Weight |
435.601
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N7S/c1-17-6-3-4-7-20(17)30-12-8-18-15-29(16-21(18)30)11-5-13-31-23-27-26-22(28(23)2)19-14-24-9-10-25-19/h3-4,6-7,9-10,14,18,21H,5,8,11-13,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANTOILZBKKIMIM-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