General Information of the Compound
Compound ID
CP0459731
Compound Name
3-carboxamido coumarin, 7
    Show/Hide
Structure
Formula
C23H17NO3
Molecular Weight
355.393
Canonical SMILES
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O
    Show/Hide
InChI
InChI=1S/C23H17NO3/c25-22(19-15-18-11-5-7-13-21(18)27-23(19)26)24-20-12-6-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,24,25)
    Show/Hide
InChIKey
SUXPUGHNKXZRPX-UHFFFAOYSA-N
Physicochemical Property
logP
4.6361
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
59.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 8438344
ChEMBL ID
CHEMBL469350
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 = 910 nM
   TI
   LI
   LO
   TS