General Information of the Compound
Compound ID |
CP0008553
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N,N-diethylethanamine;7-phenyl-5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C33H33N5O3S
|
||||||||||||||||||
Molecular Weight |
579.726
|
||||||||||||||||||
Canonical SMILES |
CCN(CC)CC.O=C1CC(=O)N(c2cccc(c2)-c2noc(=S)[nH]2)c2cc(-c3ccccc3)c3ccccc3c2N1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H18N4O3S.C6H15N/c32-23-15-24(33)31(18-10-6-9-17(13-18)26-29-27(35)34-30-26)22-14-21(16-7-2-1-3-8-16)19-11-4-5-12-20(19)25(22)28-23;1-4-7(5-2)6-3/h1-14H,15H2,(H,28,32)(H,29,30,35);4-6H2,1-3H3
Show/Hide
|
||||||||||||||||||
InChIKey |
ISAPQLHIZPXYPB-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