General Information of the Compound
| Compound ID |
CP0014727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-diethylethanamine;5-[6-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)pyridin-2-yl]-1H-benzo[i][1,5]benzodiazepine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N6O3S
|
||||||||||||||||||
| Molecular Weight |
504.616
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CC.O=C1CC(=O)N(c2cccc(n2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13N5O3S.C6H15N/c26-16-10-17(27)25(14-9-8-11-4-1-2-5-12(11)18(14)22-16)15-7-3-6-13(21-15)19-23-20(29)28-24-19;1-4-7(5-2)6-3/h1-9H,10H2,(H,22,26)(H,23,24,29);4-6H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBJQQXNLJXLERQ-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 | |||||||||||||||||||
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