General Information of the Compound
Compound ID
CP0337323
Compound Name
2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one
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Synonyms
2-(1-Piperidinyl)-4H-naphtho(1,2-b)pyran-4-one
2-(N-Piperidil)-4-oxo-4H-nafto(1,2-b)pirano
2-(N-Piperidil)-4-oxo-4H-nafto(1,2-b)pirano [Italian]
2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one
2-piperidin-1-ylbenzo[h]chromen-4-one
4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-
61035-05-0
AC1MIJ0F
BDBM50159645
BRN 0415699
CHEMBL367468
DTXSID60209911
K 12212
LS-95581
SCHEMBL3538224
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Structure
Formula
C18H17NO2
Molecular Weight
279.339
Canonical SMILES
O=c1cc(oc2c3ccccc3ccc12)N1CCCCC1
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InChI
InChI=1S/C18H17NO2/c20-16-12-17(19-10-4-1-5-11-19)21-18-14-7-3-2-6-13(14)8-9-15(16)18/h2-3,6-9,12H,1,4-5,10-11H2
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InChIKey
MAIHLQWUOLIOEP-UHFFFAOYSA-N
CAS
61035-05-0
Physicochemical Property
logP
3.9365
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
33.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 3045697
SID: 16437945
ChEMBL ID
CHEMBL367468
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 = 3810 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3810 nM
Clinical Information about the Compound
Drug 1 ( 2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one )
Drug Name 2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor