General Information of the Compound
| Compound ID |
CP0422605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-N-[(1R,2R)-2-hydroxy-6-[[N-[2-(4-methoxyphenyl)ethyl]-C-methylcarbonimidoyl]amino]-2,3-dihydro-1H-inden-1-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28BrN3O3
|
||||||||||||||||||
| Molecular Weight |
522.443
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28BrN3O3/c1-17(29-14-13-18-3-11-23(34-2)12-4-18)30-22-10-7-20-15-25(32)26(24(20)16-22)31-27(33)19-5-8-21(28)9-6-19/h3-12,16,25-26,32H,13-15H2,1-2H3,(H,29,30)(H,31,33)/t25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIAHAOIBWTWJRB-CLJLJLNGSA-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: PT01156, Muscarinic acetylcholine receptor M4