General Information of the Compound
Compound ID
CP0714443
Compound Name
2-[methyl(nitroso)amino]benzene-1,4-diol
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Structure
Formula
C7H8N2O3
Molecular Weight
168.152
Canonical SMILES
CN(N=O)c1cc(O)ccc1O
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InChI
InChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3
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InChIKey
HCJOLYFWJWJPTJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.2154
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
73.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 2990
SID: 15321841
ChEMBL ID
CHEMBL269733
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 3689.8 nM
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