General Information of the Compound
Compound ID
CP0093374
Compound Name
2-(2-fluorophenyl)-6,7-methylenedioxyquinolin-4-one
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Synonyms
1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)-
1,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)-
154554-41-3
6-(2-Fluorophenyl)[1,3]dioxolo[4,5-G]quinolin-8(5h)-One
AC1L8C3G
AC1Q4OOR
AKOS015994545
AOB2618
BDBM50041119
BRD-K94145482-001-02-8
CE-0108
CHEMBL280099
CHM 1
CHM-1
CHM-1 hydrate
CTK7C2351
DTXSID80327429
HMS3262E04
J-009113
KS-00002WS1
LP00741
MolPort-009-194-114
NCGC00186026-01
NCGC00261426-01
NCI60_019422
NSC-656158
NSC656158
Neuro_000375
SCHEMBL338729
Tox21_500741
ZINC5581788
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Structure
Formula
C16H10FNO3
Molecular Weight
283.258
Canonical SMILES
Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
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InChI
InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
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InChIKey
ZMYDAPJHGNEFGQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4752
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
51.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 375860
SID: 14824542
ChEMBL ID
CHEMBL280099
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 130.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NSC-656158 )
Drug Name NSC-656158
Target(s)
Stress-activated protein kinase JNK3 (JNK3)
 Target Info 
Inhibitor
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor