General Information of the Compound
Compound ID
CP0340419
Compound Name
6-Chloro-2-phenyl-chromen-4-one
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Synonyms
10420-73-2
4l2f
5979AH
6-Chloro-2-phenyl-4H-chromen-4-one
6-Chloro-2-phenyl-chromen-4-one
6-chloro-2-phenylchromen-4-one
6-chloroflavone
AC1L6LIW
AC1Q3RN7
AKOS000603599
BDBM50051364
CCG-233377
CHEMBL293478
DTXSID10289783
HMS1522I10
IDI1_031120
IFNDLWHUYFSXBK-UHFFFAOYSA-N
KS-000017VJ
MB00919
MCULE-8596095757
MLS002701775
MRS-1131
Maybridge4_000538
MolPort-002-893-915
NCGC00177472-01
NCIOpen2_003001
NSC-621450
NSC-63999
NSC621450
NSC63999
Oprea1_047009
SCHEMBL4649891
SMR001565369
ZB002315
ZINC58093
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Structure
Formula
C15H9ClO2
Molecular Weight
256.688
Canonical SMILES
Clc1ccc2oc(cc(=O)c2c1)-c1ccccc1
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InChI
InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
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InChIKey
IFNDLWHUYFSXBK-UHFFFAOYSA-N
CAS
10420-73-2
Physicochemical Property
logP
4.1134
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 248021
SID: 16145417
ChEMBL ID
CHEMBL293478
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: PT01279, Adenosine receptor A3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 32000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-Chloro-2-phenyl-chromen-4-one )
Drug Name 6-Chloro-2-phenyl-chromen-4-one
Target(s)
GABA(A) receptor alpha-1 (GABRA1)
 Target Info 
Inhibitor