General Information of the Compound
| Compound ID |
CP0411100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4515088
Show/Hide
|
||||||||||||||||||
| Formula |
C25H28N6
|
||||||||||||||||||
| Molecular Weight |
412.541
|
||||||||||||||||||
| Canonical SMILES |
C1C(CC11CCN(C1)c1cnccn1)N1C[C@H]2[C@@H](C1)[C@H]2c1nccn1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N6/c1-2-4-18(5-3-1)31-11-9-28-24(31)23-20-15-30(16-21(20)23)19-12-25(13-19)6-10-29(17-25)22-14-26-7-8-27-22/h1-5,7-9,11,14,19-21,23H,6,10,12-13,15-17H2/t19?,20-,21+,23-,25?
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZCYQOFVUNBAHJ-XHTMSGLCSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01156, Muscarinic acetylcholine receptor M4