General Information of the Compound
Compound ID
CP0524762
Compound Name
2-(pyridin-3-yl)-N-m-tolyl-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
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Structure
Formula
C27H25N5O
Molecular Weight
435.531
Canonical SMILES
Cc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cccnc2)c1
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InChI
InChI=1S/C27H25N5O/c1-18-7-5-10-21(15-18)29-27(33)32-14-12-24-23(17-32)25(22-11-4-3-8-19(22)2)31-26(30-24)20-9-6-13-28-16-20/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,29,33)
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InChIKey
GOKMEAAWGZYTFZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.41264
Rotatable Bonds
3
Heavy Atom Count
33
Polar Areas
71.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 54583516
ChEMBL ID
CHEMBL1771237
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: PT05244, P2Y purinoceptor 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1900 nM
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