General Information of the Compound
Compound ID
CP0475653
Compound Name
N-ethyl-N-(2-methoxyethyl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
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Structure
Formula
C19H26N6O
Molecular Weight
354.458
Canonical SMILES
CCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C
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InChI
InChI=1S/C19H26N6O/c1-7-24(8-9-26-6)18-16-19(21-15(5)20-18)25(23-22-16)17-13(3)10-12(2)11-14(17)4/h10-11H,7-9H2,1-6H3
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InChIKey
KWNYQRRFEKXHCU-UHFFFAOYSA-N
Physicochemical Property
logP
2.91688
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
68.96
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 10736859
SID: 15773085
ChEMBL ID
CHEMBL352916
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 20.7 nM
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