General Information of the Compound
Compound ID
CP0556386
Compound Name
N-(2-chlorophenyl)-4-oxochromene-3-carboxamide
    Show/Hide
Structure
Formula
C16H10ClNO3
Molecular Weight
299.713
Canonical SMILES
Clc1ccccc1NC(=O)c1coc2ccccc2c1=O
    Show/Hide
InChI
InChI=1S/C16H10ClNO3/c17-12-6-2-3-7-13(12)18-16(20)11-9-21-14-8-4-1-5-10(14)15(11)19/h1-9H,(H,18,20)
    Show/Hide
InChIKey
LMWZFWJGTHIONU-UHFFFAOYSA-N
Physicochemical Property
logP
3.6987
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
59.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155567545
ChEMBL ID
CHEMBL4589080
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 = 427 nM
   TI
   LI
   LO
   TS