General Information of the Compound
Compound ID
CP0192224
Compound Name
2-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
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Structure
Formula
C16H12N2O2S
Molecular Weight
296.351
Canonical SMILES
Cc1cnc2c3NS(=O)(=O)c4ccccc4-c3ccc2c1
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InChI
InChI=1S/C16H12N2O2S/c1-10-8-11-6-7-13-12-4-2-3-5-14(12)21(19,20)18-16(13)15(11)17-9-10/h2-9,18H,1H3
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InChIKey
IJYUOIAZTPLDSK-UHFFFAOYSA-N
Physicochemical Property
logP
3.32442
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

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PubChem ID
CID: 16759953
SID: 50089463
ChEMBL ID
CHEMBL270798
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 = 7000 nM
   TI
   LI
   LO
   TS
2
EC50 = 10000 nM
   TI
   LI
   LO
   TS