General Information of the Compound
Compound ID
CP0766209
Compound Name
cyclopentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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Structure
Formula
C17H20N2O3
Molecular Weight
300.358
Canonical SMILES
CC1=C(C(=O)OC2CCCC2)C(c2ccccc2)NC(=O)N1
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InChI
InChI=1S/C17H20N2O3/c1-11-14(16(20)22-13-9-5-6-10-13)15(19-17(21)18-11)12-7-3-2-4-8-12/h2-4,7-8,13,15H,5-6,9-10H2,1H3,(H2,18,19,21)
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InChIKey
NIRYAFJACFZZFX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8003
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 2836902
ChEMBL ID
CHEMBL208941
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: PT06099, Long-chain fatty acid transport protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS