General Information of the Compound
| Compound ID |
CP0918662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyano-N-[(6-fluoro-3-{[(3S)-3-methyl-1-piperazinyl]methyl}-3-biphenylyl)methyl] benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27FN4O
|
||||||||||||||||||
| Molecular Weight |
442.538
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27FN4O/c1-19-17-32(11-10-30-19)18-22-5-3-6-23(13-22)25-14-21(8-9-26(25)28)16-31-27(33)24-7-2-4-20(12-24)15-29/h2-9,12-14,19,30H,10-11,16-18H2,1H3,(H,31,33)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBEWUYNNNHETOS-IBGZPJMESA-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