General Information of the Compound
| Compound ID |
CP0000530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide
Show/Hide
|
||||||||||||||||||
| Formula |
C16H14ClN3O
|
||||||||||||||||||
| Molecular Weight |
299.761
|
||||||||||||||||||
| Canonical SMILES |
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANTSCNMPPGJYLG-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
58-25-3
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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: PT04542, Bile salt export pump
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic