General Information of the Compound
| Compound ID |
CP0467077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H36N4O3S
|
||||||||||||||||||
| Molecular Weight |
460.644
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC2(C1)CCCN(C2)S(=O)(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N4O3S/c29-23(26-14-6-13-25(17-18-26)21-7-4-8-21)27-16-12-24(19-27)11-5-15-28(20-24)32(30,31)22-9-2-1-3-10-22/h1-3,9-10,21H,4-8,11-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEHLUGJGFROTAE-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2