General Information of the Compound
Compound ID
CP0386175
Compound Name
4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
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Structure
Formula
C19H23N7O2
Molecular Weight
381.44
Canonical SMILES
Cc1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C19H23N7O2/c1-14-20-15-4-2-3-5-16(15)26(14)19-22-17(24-6-10-27-11-7-24)21-18(23-19)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3
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InChIKey
JEDLLKZKXSMSBV-UHFFFAOYSA-N
Physicochemical Property
logP
1.19212
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
81.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Complexity
28

"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: 11955693
SID: 17399646
ChEMBL ID
CHEMBL1910989
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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 143 nM
   TI
   LI
   LO
   TS
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 290 nM
   TI
   LI
   LO
   TS
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 289 nM
   TI
   LI
   LO
   TS
2
IC50 = 523 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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 187 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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1860 nM
   TI
   LI
   LO
   TS