General Information of the Compound
| Compound ID |
CP0924707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8'-methyl-11'-(2-(methylthio)phenyl)-4',5',10',11'-tetrahydrospiro[cyclopentane-1,3'-dibenzo[b,e][1,4]diazepin]-1'(2'H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N2OS
|
||||||||||||||||||
| Molecular Weight |
404.579
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC1(CCCC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N2OS/c1-16-9-10-18-19(13-16)27-24(17-7-3-4-8-22(17)29-2)23-20(26-18)14-25(15-21(23)28)11-5-6-12-25/h3-4,7-10,13,24,26-27H,5-6,11-12,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAGBDJWFJCMSEX-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