General Information of the Compound
| Compound ID |
CP0372675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1223861
Show/Hide
|
||||||||||||||||||
| Formula |
C22H31FN2O3
|
||||||||||||||||||
| Molecular Weight |
390.499
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31FN2O3/c1-4-27-17-5-9-22(3,10-6-17)24-11-7-16(8-12-24)25-19-14-15(2)13-18(23)20(19)28-21(25)26/h13-14,16-17H,4-12H2,1-3H3/t17-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSDXQFXBUOFSAB-VVOJOOEHSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5