General Information of the Compound
| Compound ID |
CP0398002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]benzimidazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4O2
|
||||||||||||||||||
| Molecular Weight |
384.867
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CCN(CCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN4O2/c21-15-7-5-14(6-8-15)19(27)23-20-22-17-3-1-2-4-18(17)25(20)12-11-24-10-9-16(26)13-24/h1-8,16,26H,9-13H2,(H,22,23,27)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTTFTOLSXOKFQE-INIZCTEOSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor