General Information of the Compound
Compound ID |
CP0395610
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H27N3O2S
|
||||||||||||||||||
Molecular Weight |
421.566
|
||||||||||||||||||
Canonical SMILES |
Cc1ccc2Nc3ncccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H27N3O2S/c1-16-8-13-21-22(17(16)2)27(15-18-7-6-14-25-23(18)26-21)30(28,29)20-11-9-19(10-12-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
InChIKey |
BHOCTOJSYIHUDO-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: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3