General Information of the Compound
Compound ID
CP0315894
Compound Name
6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)pyridin-2-amin
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Structure
Formula
C20H19N7O
Molecular Weight
373.42
Canonical SMILES
Nc1cccc(n1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
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InChI
InChI=1S/C20H19N7O/c21-17-8-4-7-16(23-17)18-24-19(26-9-11-28-12-10-26)15-13-22-27(20(15)25-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,23)
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InChIKey
ORUXQZROMHNKDA-UHFFFAOYSA-N
Physicochemical Property
logP
2.2963
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
94.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 44607001
SID: 87356734
ChEMBL ID
CHEMBL1098310
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 113 nM
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