General Information of the Compound
Compound ID
CP0555642
Compound Name
6-methoxy-N-(3-methylphenyl)-4-oxochromene-3-carboxamide
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Structure
Formula
C18H15NO4
Molecular Weight
309.321
Canonical SMILES
COc1ccc2occ(C(=O)Nc3cccc(C)c3)c(=O)c2c1
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InChI
InChI=1S/C18H15NO4/c1-11-4-3-5-12(8-11)19-18(21)15-10-23-16-7-6-13(22-2)9-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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InChIKey
NJBADNQZHNTSHT-UHFFFAOYSA-N
Physicochemical Property
logP
3.36232
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
68.54
Hydrogen Bond Donor Count
1
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: 137639448
ChEMBL ID
CHEMBL4072004
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 = 21.8 nM
   TI
   LI
   LO
   TS