General Information of the Compound
| Compound ID |
CP0391239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4637749
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25F4N3O3
|
||||||||||||||||||
| Molecular Weight |
467.463
|
||||||||||||||||||
| Canonical SMILES |
[O-]C(=O)C(F)(F)F.C[N@@+]12CC[C@@H](CC1)[C@H](C2)NC(=O)Nc1ccc(F)cc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24FN3O.C2HF3O2/c1-25-11-9-16(10-12-25)20(14-25)24-21(26)23-19-8-7-17(22)13-18(19)15-5-3-2-4-6-15;3-2(4,5)1(6)7/h2-8,13,16,20H,9-12,14H2,1H3,(H-,23,24,26);(H,6,7)/t16-,20-,25+;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFFHRGFPRHZDSW-YKMBLRCFSA-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 | |||||||||||||||||||
| 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