General Information of the Compound
Compound ID
CP0847497
Compound Name
[(2-Azido-5-nitro-phenyl)-hydroxy-methyl]-phosphonic acid
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Structure
Formula
C7H7N4O6P
Molecular Weight
274.129
Canonical SMILES
[N-]=[N+]=Nc1ccc([N+](=O)[O-])cc1C(O)P(=O)(O)O
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InChI
InChI=1S/C7H7N4O6P/c8-10-9-6-2-1-4(11(13)14)3-5(6)7(12)18(15,16)17/h1-3,7,12H,(H2,15,16,17)
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InChIKey
WWRTVKJKNQYEOS-UHFFFAOYSA-N
Physicochemical Property
logP
1.7052
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
169.66
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 9860328
SID: 14824220
ChEMBL ID
CHEMBL305414
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: PT01706, Receptor-type tyrosine-protein phosphatase C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 8000 nM
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