General Information of the Compound
Compound ID
CP0415145
Compound Name
3-carboxamido coumarin, 19
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Synonyms
3-carboxamido coumarin, 19
4-(2-oxo-2H-chromene-3-carboxamido)benzoic acid
4-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid
4-[(2-oxochromen-3-yl)carbonylamino]benzoic acid
4-[(2-oxochromene-3-carbonyl)amino]benzoic acid
4-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid
AC1MJCO7
AKOS000269615
BAS 00518567
BBL026015
BDBM29169
CHEMBL513209
MCULE-2534949799
MolPort-000-375-260
Oprea1_127959
Oprea1_826423
SBB041117
SCHEMBL4389144
ST50102584
STL353172
ZINC3076649
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Structure
Formula
C17H11NO5
Molecular Weight
309.277
Canonical SMILES
OC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
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InChI
InChI=1S/C17H11NO5/c19-15(18-12-7-5-10(6-8-12)16(20)21)13-9-11-3-1-2-4-14(11)23-17(13)22/h1-9H,(H,18,19)(H,20,21)
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InChIKey
IMGLCZZPWOJMLB-UHFFFAOYSA-N
Physicochemical Property
logP
2.7435
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
96.61
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 3110315
SID: 17420603
ChEMBL ID
CHEMBL513209
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 = 9970 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 = 1140 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-oxo-2H-chromene-3-carboxamido)benzoic acid )
Drug Name 4-(2-oxo-2H-chromene-3-carboxamido)benzoic acid
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor