General Information of the Compound
Compound ID
CP0392843
Compound Name
4-Piperidin-1-yl-chromen-2-one
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Synonyms
4-(1-piperidinyl)-2H-chromen-2-one
4-Piperidin-1-yl-chromen-2-one
4-piperidin-1-ylchromen-2-one
4-piperidinocoumarin
4-piperidylchromen-2-one
AC1LEH6J
AKOS003620982
BAS 01052429
BDBM50159626
CHEMBL176114
EU-0085678
HMS2627L16
MCULE-1716733202
MLS000711082
Oprea1_207466
Oprea1_800231
SMR000280849
SR-01000527828
ST50993947
ZINC53303
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Structure
Formula
C14H15NO2
Molecular Weight
229.279
Canonical SMILES
O=c1cc(N2CCCCC2)c2ccccc2o1
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InChI
InChI=1S/C14H15NO2/c16-14-10-12(15-8-4-1-5-9-15)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2
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InChIKey
AZAXRUNIGYYEKS-UHFFFAOYSA-N
Physicochemical Property
logP
2.7833
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
33.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 686127
ChEMBL ID
CHEMBL176114
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: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 8810 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Piperidin-1-yl-chromen-2-one )
Drug Name 4-Piperidin-1-yl-chromen-2-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor