General Information of the Compound
| Compound ID |
CP0869983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-1-(4-hydroxybenzyl)-3-((S)-3-(4-hydroxyphenyl)-2-(3-(4-(isopropylcarbamoyl)phenyl)ureido)propanamido)-1-methylpiperidinium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42IN5O5
|
||||||||||||||||||
| Molecular Weight |
715.633
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41N5O5.HI/c1-22(2)34-31(41)25-10-12-26(13-11-25)36-33(43)37-30(19-23-6-14-28(39)15-7-23)32(42)35-27-5-4-18-38(3,21-27)20-24-8-16-29(40)17-9-24;/h6-17,22,27,30H,4-5,18-21H2,1-3H3,(H5-,34,35,36,37,39,40,41,42,43);1H/t27-,30-,38?;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGMGQBHYUNQXHA-RVMAVJEGSA-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