General Information of the Compound
Compound ID
CP0088261
Compound Name
5-(4-chlorophenyl)-2H-tetrazole
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Structure
Formula
C7H5ClN4
Molecular Weight
180.598
Canonical SMILES
Clc1ccc(cc1)-c1nnn[nH]1
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InChI
InChI=1S/C7H5ClN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
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InChIKey
BGKOVWIBDZMJPN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5201
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 257758
SID: 84978893
ChEMBL ID
CHEMBL449442
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: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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