General Information of the Compound
Compound ID
CP0862894
Compound Name
2-(Cyclohexylmethoxy)pyrido[3,4-d]pyrimidin-4(3H)-one
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Structure
Formula
C14H17N3O2
Molecular Weight
259.309
Canonical SMILES
O=c1[nH]c(OCC2CCCCC2)nc2cnccc12
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InChI
InChI=1S/C14H17N3O2/c18-13-11-6-7-15-8-12(11)16-14(17-13)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17,18)
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InChIKey
GTWCJVQHANZRHG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2772
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 136053688
ChEMBL ID
CHEMBL3770715
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: PT02979, Lysine-specific demethylase 4C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS