General Information of the Compound
Compound ID
CP0028693
Compound Name
2-oxo-N-phenyl-2H-chromene-3-carboxamide
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Synonyms
(2-oxochromen-3-yl)-N-benzamide
2-oxo-N-phenyl-2H-chromene-3-carboxamide
2-oxo-N-phenyl-chromene-3-carboxamide
2-oxo-N-phenylchromene-3-carboxamide
3-Carboxamide-coumarin deriv., 18
54396-25-7
AC1L7UQ9
AKOS000511884
BDBM23543
CBDivE_011982
CHEMBL494795
Coumarin, 3-(anilinocarbonyl)-
DTXSID80321427
HMS1415D07
IDI1_008996
IFLab1_001129
JMC521935 Compound 6
MCULE-7275389335
MolPort-000-375-218
NIOSH/DJ2267500
NSC-375104
NSC375104
Oprea1_247443
Oprea1_472798
SCHEMBL831792
STK337557
ZINC42178
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Structure
Formula
C16H11NO3
Molecular Weight
265.268
Canonical SMILES
O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
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InChI
InChI=1S/C16H11NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h1-10H,(H,17,18)
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InChIKey
IMFBGZCBLOPVCJ-UHFFFAOYSA-N
CAS
54396-25-7
Physicochemical Property
logP
3.0453
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
59.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 341782
SID: 15466372
ChEMBL ID
CHEMBL494795
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: PT00918, Amine oxidase [flavin-containing] A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 13120 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01362, Amine oxidase [flavin-containing] B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 760 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-oxo-N-phenyl-2H-chromene-3-carboxamide )
Drug Name 2-oxo-N-phenyl-2H-chromene-3-carboxamide
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor