General Information of the Compound
| Compound ID |
CP0421599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dichlorophenyl)-1-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H20Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
427.335
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2cc(ccc12)-c1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20Cl2N4O/c1-27-10-11-28(22(29)26-18-3-4-19(23)20(24)13-18)14-17-12-16(2-5-21(17)27)15-6-8-25-9-7-15/h2-9,12-13H,10-11,14H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRQDOZQITNXEFR-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 | |||||||||||||||||||
| 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: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142