General Information of the Compound
Compound ID
CP0559688
Compound Name
N-(2-hydroxyphenyl)-4-oxochromene-3-carboxamide
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Structure
Formula
C16H11NO4
Molecular Weight
281.267
Canonical SMILES
Oc1ccccc1NC(=O)c1coc2ccccc2c1=O
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InChI
InChI=1S/C16H11NO4/c18-13-7-3-2-6-12(13)17-16(20)11-9-21-14-8-4-1-5-10(14)15(11)19/h1-9,18H,(H,17,20)
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InChIKey
JKJGNVOPSHCJNW-UHFFFAOYSA-N
Physicochemical Property
logP
2.7509
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
79.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 155564440
ChEMBL ID
CHEMBL4576126
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 = 736 nM
   TI
   LI
   LO
   TS