General Information of the Compound
Compound ID
CP0143945
Compound Name
2-Pyridin-4-yl-benzo[h]chromen-4-one
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Synonyms
2-(4-pyridyl)benzo[h]chromen-4-one
2-(pyridin-4-yl)-4H-benzo[h]chromen-4-one
2-(pyridin-4-yl)benzo[h]chromen-4-one
2-Pyridin-4-yl-benzo[h]chromen-4-one
2-pyridin-4-ylbenzo[h]chromen-4-one
2110-25-0
4-(4-Oxo-4H-benzo[h]chromen-2-yl)-pyridinium
AC1MKUU0
AKOS000507523
BAS 12813734
BDBM50159612
CHEBI:116557
CHEMBL177991
CTK7H2722
DTXSID20390354
EC-000.1914
GTPL4335
HMS2841G23
J-013846
MCULE-4590967836
MLS001209162
SCHEMBL4069839
SMR000525005
ST50294170
TR-043515
UCCF-029
ZINC9006
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Structure
Formula
C18H11NO2
Molecular Weight
273.291
Canonical SMILES
O=c1cc(oc2c3ccccc3ccc12)-c1ccncc1
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InChI
InChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H
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InChIKey
LZCOBWKVDSSOBB-UHFFFAOYSA-N
CAS
2110-25-0
Physicochemical Property
logP
4.0082
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
43.1
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: 3163532
SID: 16351741
ChEMBL ID
CHEMBL177991
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( UCCF-029 )
Drug Name UCCF-029
Target(s)
cAMP-dependent chloride channel (CFTR)
 Target Info 
Activator