General Information of the Compound
Compound ID
CP0955011
Compound Name
cyclopentyl 4-(furan-3-carbonyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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Structure
Formula
C16H18N2O5
Molecular Weight
318.329
Canonical SMILES
CC1=C(C(=O)OC2CCCC2)C(C(=O)c2ccoc2)NC(=O)N1
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InChI
InChI=1S/C16H18N2O5/c1-9-12(15(20)23-11-4-2-3-5-11)13(18-16(21)17-9)14(19)10-6-7-22-8-10/h6-8,11,13H,2-5H2,1H3,(H2,17,18,21)
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InChIKey
SSYCNCQERNTKHN-UHFFFAOYSA-N
Physicochemical Property
logP
1.9035
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
97.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 44413226
ChEMBL ID
CHEMBL384913
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