General Information of the Compound
Compound ID |
CP0391918
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(4-chlorophenyl)methyl-[3-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]propyl]-dimethylazanium
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C32H40ClN4O5+
|
||||||||||||||||||
Molecular Weight |
596.148
|
||||||||||||||||||
Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C32H39ClN4O5/c1-22(2)42-31(40)25-10-14-27(15-11-25)35-32(41)36-29(20-23-8-16-28(38)17-9-23)30(39)34-18-5-19-37(3,4)21-24-6-12-26(33)13-7-24/h6-17,22,29H,5,18-21H2,1-4H3,(H3-,34,35,36,38,39,40,41)/p+1/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
HKRMWBKEZJIJNK-LJAQVGFWSA-O
|
||||||||||||||||||
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