General Information of the Compound
| Compound ID |
CP0395563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[(2S)-1-[4-(cyclohexylmethyl)-4-methylpiperazin-4-ium-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H45N4O5+
|
||||||||||||||||||
| Molecular Weight |
565.735
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N4O5/c1-23(2)41-31(39)26-11-13-27(14-12-26)33-32(40)34-29(21-24-9-15-28(37)16-10-24)30(38)35-17-19-36(3,20-18-35)22-25-7-5-4-6-8-25/h9-16,23,25,29H,4-8,17-22H2,1-3H3,(H2-,33,34,37,39,40)/p+1/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJTPWZBBLMLRGU-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