General Information of the Compound
Compound ID
CP0474848
Compound Name
N-(4-hydroxyphenyl)-6-methoxy-4-oxochromene-3-carboxamide
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Structure
Formula
C17H13NO5
Molecular Weight
311.293
Canonical SMILES
COc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1
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InChI
InChI=1S/C17H13NO5/c1-22-12-6-7-15-13(8-12)16(20)14(9-23-15)17(21)18-10-2-4-11(19)5-3-10/h2-9,19H,1H3,(H,18,21)
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InChIKey
KPRBKCJFVNSNOQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7595
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
88.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 137662199
ChEMBL ID
CHEMBL4102366
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 = 674.2 nM
   TI
   LI
   LO
   TS