General Information of the Compound
| Compound ID |
CP0395558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[(2S)-1-[4-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H43N4O5+
|
||||||||||||||||||
| Molecular Weight |
551.708
|
||||||||||||||||||
| Canonical SMILES |
CC[N+]1(CCCC1)C1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)C(=O)OC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N4O5/c1-4-35(19-5-6-20-35)26-15-17-34(18-16-26)29(37)28(21-23-7-13-27(36)14-8-23)33-31(39)32-25-11-9-24(10-12-25)30(38)40-22(2)3/h7-14,22,26,28H,4-6,15-21H2,1-3H3,(H2-,32,33,36,38,39)/p+1/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKQNEBWRSMWPOA-NDEPHWFRSA-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