General Information of the Compound
Compound ID
CP0481716
Compound Name
pyrazolo pyrimidine, 15
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Structure
Formula
C24H30N8O3
Molecular Weight
478.557
Canonical SMILES
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(C)=O)c2n1
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InChI
InChI=1S/C24H30N8O3/c1-16(33)30-9-7-19(8-10-30)32-23-20(15-26-32)22(31-11-13-35-14-12-31)28-21(29-23)17-3-5-18(6-4-17)27-24(34)25-2/h3-6,15,19H,7-14H2,1-2H3,(H2,25,27,34)
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InChIKey
NNYPLMSOAFZNTE-UHFFFAOYSA-N
Physicochemical Property
logP
2.2646
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
117.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
35

"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: 44233162
SID: 85252407
ChEMBL ID
CHEMBL562365
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 = 2.1 nM
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