General Information of the Compound
Compound ID
CP0932556
Compound Name
SID90341626
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Synonyms
A 134974
A-134974
A134974
CHEMBL1591918
GTPL5130
NCGC00186045-01
SMP2_000021
ZINC3827162
a-134974
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Structure
Formula
C11H14IN5O2
Molecular Weight
375.17
Canonical SMILES
Nc1ncnc2c1c(I)cn2[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O
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InChI
InChI=1S/C11H14IN5O2/c12-4-2-17(6-1-5(13)8(18)9(6)19)11-7(4)10(14)15-3-16-11/h2-3,5-6,8-9,18-19H,1,13H2,(H2,14,15,16)/t5-,6+,8+,9-/m0/s1
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InChIKey
NSXJHIFQIZKLGF-LWIVVEGESA-N
Physicochemical Property
logP
-0.388
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
123.21
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
19

"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: 9885936
SID: 14853301
ChEMBL ID
CHEMBL1591918
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 11668.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( A-134974 )
Drug Name A-134974
Company Abbott Laboratories
Indication
Epilepsy
Terminated
Target(s)
Adenosine kinase (ADK)
 Target Info 
Inhibitor