General Information of the Compound
Compound ID
CP0211410
Compound Name
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
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Synonyms
5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
5H-quino[8,7-c][1,2]benzothiazine 6,6-dioxide
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
AC1LD057
AKOS022139691
BDBM36894
CBDivE_011354
CHEBI:93609
CHEMBL1589921
CHEMBL428064
CYSOFAOLQAYKGU-UHFFFAOYSA-N
DNDI1318477
EU-0033328
HMS2479M21
MCULE-7323909600
MLS000038106
MolPort-002-134-452
NCGC00070544-03
Oprea1_666568
SCHEMBL11973195
SMR000040050
SR-01000388300
SR-01000388300-1
STL328289
ZINC230033
cid_659101
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Structure
Formula
C15H10N2O2S
Molecular Weight
282.324
Canonical SMILES
O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12
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InChI
InChI=1S/C15H10N2O2S/c18-20(19)13-6-2-1-5-11(13)12-8-7-10-4-3-9-16-14(10)15(12)17-20/h1-9,17H
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InChIKey
CYSOFAOLQAYKGU-UHFFFAOYSA-N
Physicochemical Property
logP
3.016
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 659101
SID: 53834157
ChEMBL ID
CHEMBL428064
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 562.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05222, NF-kappa-B inhibitor alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 2200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 2600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06104, Solute carrier family 40 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
IC50 = 2900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5H-6-thia-4,5-diaza-chrysene 6,6-dioxide )
Drug Name 5H-6-thia-4,5-diaza-chrysene 6,6-dioxide