General Information of the Compound
Compound ID
CP0456436
Compound Name
3-(4-aminophenyl)-6-methylchromen-2-one
    Show/Hide
Structure
Formula
C16H13NO2
Molecular Weight
251.285
Canonical SMILES
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(N)cc1
    Show/Hide
InChI
InChI=1S/C16H13NO2/c1-10-2-7-15-12(8-10)9-14(16(18)19-15)11-3-5-13(17)6-4-11/h2-9H,17H2,1H3
    Show/Hide
InChIKey
ZZAMGYGTJZMFKR-UHFFFAOYSA-N
Physicochemical Property
logP
3.35062
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
56.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 118724441
ChEMBL ID
CHEMBL3360735
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 = 4.1 nM
   TI
   LI
   LO
   TS