General Information of the Compound
Compound ID
CP0377268
Compound Name
3-Benzyl-6-nitrochromen-2-one
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Structure
Formula
C16H11NO4
Molecular Weight
281.267
Canonical SMILES
[O-][N+](=O)c1ccc2oc(=O)c(Cc3ccccc3)cc2c1
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InChI
InChI=1S/C16H11NO4/c18-16-13(8-11-4-2-1-3-5-11)9-12-10-14(17(19)20)6-7-15(12)21-16/h1-7,9-10H,8H2
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InChIKey
FZFKCPVYRKGVBL-UHFFFAOYSA-N
Physicochemical Property
logP
3.292
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
73.35
Hydrogen Bond Donor Count
0
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: 44592052
ChEMBL ID
CHEMBL472635
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS