General Information of the Compound
Compound ID
CP0415140
Compound Name
3-carboxamido coumarin, 15
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Synonyms
111947-24-1
3-carboxamido coumarin, 15
AC1LHTSN
AKOS001279407
BDBM29165
BIM-0028988.P001
CBMicro_028869
CHEMBL470419
Ethyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate
F1006-0090
LS-38062
MCULE-7936571021
MISJYZJMFQOBPG-UHFFFAOYSA-N
MolPort-000-375-263
Oprea1_481544
ST4083371
STK401564
Z30248586
ZINC434162
ethyl 4-(2-oxo-2H-chromene-3-amido)benzoate
ethyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate
ethyl 4-[(2-oxochromen-3-yl)carbonylamino]benzoate
ethyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate
ethyl 4-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate
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Structure
Formula
C19H15NO5
Molecular Weight
337.331
Canonical SMILES
CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
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InChI
InChI=1S/C19H15NO5/c1-2-24-18(22)12-7-9-14(10-8-12)20-17(21)15-11-13-5-3-4-6-16(13)25-19(15)23/h3-11H,2H2,1H3,(H,20,21)
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InChIKey
MISJYZJMFQOBPG-UHFFFAOYSA-N
Physicochemical Property
logP
3.222
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
85.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 869109
SID: 15672060
ChEMBL ID
CHEMBL470419
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 = 15980 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ethyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate )
Drug Name Ethyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate
Target(s)
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor