General Information of the Compound
Compound ID
CP0522204
Compound Name
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
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Structure
Formula
C13H9Cl2N5O2S
Molecular Weight
370.221
Canonical SMILES
Clc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
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InChI
InChI=1S/C13H9Cl2N5O2S/c14-11-5-4-10(7-12(11)15)23(21,22)18-9-3-1-2-8(6-9)13-16-19-20-17-13/h1-7,18H,(H,16,17,19,20)
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InChIKey
NBZDJJMMKXGSJR-UHFFFAOYSA-N
Physicochemical Property
logP
2.9743
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
100.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 8823441
ChEMBL ID
CHEMBL3416732
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: PT05116, Leucyl-cystinyl aminopeptidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1100 nM
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