General Information of the Compound
Compound ID
CP0836860
Compound Name
2-(4-(4-cyclopropylpiperidine-1-carbonyl)-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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Structure
Formula
C19H23N5O2
Molecular Weight
353.426
Canonical SMILES
O=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC(C2CC2)CC1
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InChI
InChI=1S/C19H23N5O2/c25-17-15-2-1-3-16(15)21-19(22-17)24-11-14(10-20-24)18(26)23-8-6-13(7-9-23)12-4-5-12/h10-13H,1-9H2,(H,21,22,25)
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InChIKey
PYVQHUCGCGRFTP-UHFFFAOYSA-N
Physicochemical Property
logP
1.7065
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
83.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 137049270
ChEMBL ID
CHEMBL4586985
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: PT03734, Sepiapterin reductase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000151 SK-N-BE(2) Homo sapiens (Human)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM