General Information of the Compound
Compound ID
CP0532551
Compound Name
N-(2,2-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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Structure
Formula
C15H22N4
Molecular Weight
258.369
Canonical SMILES
CN(C1CCCCC1(C)C)c1ncnc2[nH]ccc12
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InChI
InChI=1S/C15H22N4/c1-15(2)8-5-4-6-12(15)19(3)14-11-7-9-16-13(11)17-10-18-14/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,17,18)
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InChIKey
FUYXTCZHCUZIMR-UHFFFAOYSA-N
Physicochemical Property
logP
3.3629
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 49855941
SID: 104228977
ChEMBL ID
CHEMBL1630778
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: PT00892, Tyrosine-protein kinase JAK3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 230 nM
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