General Information of the Compound
Compound ID
CP0435066
Compound Name
3-carboxamido coumarin, 13
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Synonyms
2-Oxo-2H-chromene-3-carboxylic acid (4-ethyl-phenyl)-amide
3-carboxamido coumarin, 13
AC1LF7IS
AC1Q2TK3
AKOS000533669
BAS 00837926
BDBM29163
CHEMBL469583
ChemDiv3_001051
EU-0002704
HMS1475P17
IDI1_020017
MCULE-8672204127
MolPort-000-375-251
N-(4-Ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
N-(4-ethylphenyl)(2-oxochromen-3-yl)carboxamide
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
Oprea1_049912
Oprea1_789803
SR-01000410412
SR-01000410412-1
ST45140661
STK421228
ZINC130255
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Structure
Formula
C18H15NO3
Molecular Weight
293.322
Canonical SMILES
CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
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InChI
InChI=1S/C18H15NO3/c1-2-12-7-9-14(10-8-12)19-17(20)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
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InChIKey
CCRNXJJERVYHEO-UHFFFAOYSA-N
Physicochemical Property
logP
3.6077
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
59.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 724200
ChEMBL ID
CHEMBL469583
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 = 15670 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 = 890 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(4-Ethylphenyl)-2-oxo-2H-chromene-3-carboxamide )
Drug Name N-(4-Ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor