General Information of the Compound
Compound ID
CP0918622
Compound Name
SID90341709
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Structure
Formula
C10H14N2O4
Molecular Weight
226.232
Canonical SMILES
C[C@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
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InChI
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m1/s1
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InChIKey
TZFNLOMSOLWIDK-SNVBAGLBSA-N
Physicochemical Property
logP
-0.0531
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
115.81
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 676113
ChEMBL ID
CHEMBL1417392
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 = 16481.6 nM
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