General Information of the Compound
Compound ID
CP0433339
Compound Name
7-chloro-1,1-dioxo-3-phenylamino-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol
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Structure
Formula
C13H10ClN3O3S
Molecular Weight
323.761
Canonical SMILES
Oc1cc(Cl)cc2c1N=C(Nc1ccccc1)NS2(=O)=O
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InChI
InChI=1S/C13H10ClN3O3S/c14-8-6-10(18)12-11(7-8)21(19,20)17-13(16-12)15-9-4-2-1-3-5-9/h1-7,18H,(H2,15,16,17)
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InChIKey
CSVFYLNVNAKVAF-UHFFFAOYSA-N
Physicochemical Property
logP
2.4371
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
90.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 44432384
ChEMBL ID
CHEMBL234184
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: PT01013, C-X-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2400 nM
   TI
   LI
   LO
   TS