General Information of the Compound
| Compound ID |
CP0384751
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-hexyl)-carbamic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40N6O4
|
||||||||||||||||||
| Molecular Weight |
536.677
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40N6O4/c1-29(2,3)39-28(38)31-14-8-4-5-9-16-33-17-19-34(20-18-33)21-25(36)35-24-13-7-6-11-22(24)27(37)32-23-12-10-15-30-26(23)35/h6-7,10-13,15H,4-5,8-9,14,16-21H2,1-3H3,(H,31,38)(H,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWOGNJMNMNHLLE-UHFFFAOYSA-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4