General Information of the Compound
Compound ID
CP0373170
Compound Name
5-Phenyl-6-pyrrolidin-1-ylpyrimidine-2,4(1H,3H)-dione, 24
    Show/Hide
Structure
Formula
C14H15N3O2
Molecular Weight
257.293
Canonical SMILES
O=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1
    Show/Hide
InChI
InChI=1S/C14H15N3O2/c18-13-11(10-6-2-1-3-7-10)12(15-14(19)16-13)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H2,15,16,18,19)
    Show/Hide
InChIKey
ONWVORXAUHKKSX-UHFFFAOYSA-N
Physicochemical Property
logP
1.3304
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
68.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 23648529
SID: 47215370
ChEMBL ID
CHEMBL394315
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: PT01816, Thymidine phosphorylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
Ki > 20000 nM
   TI
   LI
   LO
   TS