General Information of the Compound
Compound ID
CP0405620
Compound Name
3-(biphenyl-2-ylamino)-7-chloro-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol
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Structure
Formula
C19H14ClN3O3S
Molecular Weight
399.859
Canonical SMILES
Oc1cc(Cl)cc2c1N=C(Nc1ccccc1-c1ccccc1)NS2(=O)=O
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InChI
InChI=1S/C19H14ClN3O3S/c20-13-10-16(24)18-17(11-13)27(25,26)23-19(22-18)21-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11,24H,(H2,21,22,23)
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InChIKey
ZMMHPWURJDODJF-UHFFFAOYSA-N
Physicochemical Property
logP
4.1041
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
90.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 44432397
ChEMBL ID
CHEMBL233961
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 = 230 nM
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