General Information of the Compound
Compound ID
CP0222582
Compound Name
3-methyl-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-ol
    Show/Hide
Structure
Formula
C16H12N2O3S
Molecular Weight
312.35
Canonical SMILES
Cc1ccc2ccc-3c(NS(=O)(=O)c4ccc(O)cc-34)c2n1
    Show/Hide
InChI
InChI=1S/C16H12N2O3S/c1-9-2-3-10-4-6-12-13-8-11(19)5-7-14(13)22(20,21)18-16(12)15(10)17-9/h2-8,18-19H,1H3
    Show/Hide
InChIKey
YXCQOKDIVHUISG-UHFFFAOYSA-N
Physicochemical Property
logP
3.03002
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
79.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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
CID: 16759910
ChEMBL ID
CHEMBL403333
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: PT05222, NF-kappa-B inhibitor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3 Homo sapiens (Human)  2
1
EC50 = 8000 nM
   TI
   LI
   LO
   TS
2
EC50 = 11000 nM
   TI
   LI
   LO
   TS