General Information of the Compound
Compound ID
CP0432962
Compound Name
N-(4,6-diphenylpyrimidin-2-yl)cyclopropanecarboxamide
    Show/Hide
Structure
Formula
C20H17N3O
Molecular Weight
315.376
Canonical SMILES
O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CC1
    Show/Hide
InChI
InChI=1S/C20H17N3O/c24-19(16-11-12-16)23-20-21-17(14-7-3-1-4-8-14)13-18(22-20)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24)
    Show/Hide
InChIKey
HMOYOBUDEWMPCL-UHFFFAOYSA-N
Physicochemical Property
logP
4.1591
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11290020
SID: 16377534
ChEMBL ID
CHEMBL224835
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 24.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 228 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 676 nM
   TI
   LI
   LO
   TS