General Information of the Compound
| Compound ID |
CP0860436
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,3,3-Triphenyl-propionyl)-pyrrolidine-2-carboxylic acid {[(1-cyclohexylmethyl-piperidin-3-ylmethyl)-carbamoyl]-methyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H52N4O3
|
||||||||||||||||||
| Molecular Weight |
648.892
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H52N4O3/c46-38(42-28-33-17-13-25-44(31-33)30-32-15-5-1-6-16-32)29-43-40(48)37-24-14-26-45(37)39(47)27-41(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33,37H,1,5-6,13-17,24-31H2,(H,42,46)(H,43,48)/t33-,37+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVTZHKIAVNUTSV-GOJCVTOHSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5