General Information of the Compound
Compound ID
CP0415148
Compound Name
3-carboxamido coumarin, 5
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Synonyms
3-carboxamido coumarin, 5
AKOS005787848
BDBM29156
CHEMBL472638
N-(2-aminoethyl)-2-oxo-2H-chromene-3-carboxamide
SCHEMBL15892984
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Structure
Formula
C12H12N2O3
Molecular Weight
232.239
Canonical SMILES
NCCNC(=O)c1cc2ccccc2oc1=O
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InChI
InChI=1S/C12H12N2O3/c13-5-6-14-11(15)9-7-8-3-1-2-4-10(8)17-12(9)16/h1-4,7H,5-6,13H2,(H,14,15)
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InChIKey
ZZZHRZHNTZJEMF-UHFFFAOYSA-N
Physicochemical Property
logP
0.4815
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
85.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 10657190
SID: 15689295
ChEMBL ID
CHEMBL472638
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 7680 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(2-aminoethyl)-2-oxo-2H-chromene-3-carboxamide )
Drug Name N-(2-aminoethyl)-2-oxo-2H-chromene-3-carboxamide
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor