General Information of the Compound
Compound ID
CP0143584
Compound Name
N-[3-(6-amino-2-methylpyrimidin-4-yl)pyridin-2-yl]-1H-indazol-4-amine
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Structure
Formula
C17H15N7
Molecular Weight
317.356
Canonical SMILES
Cc1nc(N)cc(n1)-c1cccnc1Nc1cccc2[nH]ncc12
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InChI
InChI=1S/C17H15N7/c1-10-21-15(8-16(18)22-10)11-4-3-7-19-17(11)23-13-5-2-6-14-12(13)9-20-24-14/h2-9H,1H3,(H,19,23)(H,20,24)(H2,18,21,22)
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InChIKey
WHJXPQMHEGTMAA-UHFFFAOYSA-N
Physicochemical Property
logP
3.04912
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
105.4
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 59548454
SID: 144085947
ChEMBL ID
CHEMBL2165271
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 150 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 130 nM
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 110 nM
   TI
   LI
   LO
   TS
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 370 nM
   TI
   LI
   LO
   TS
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 91 nM
   TI
   LI
   LO
   TS