General Information of the Compound
Compound ID
CP0471125
Compound Name
(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine
    Show/Hide
Structure
Formula
C17H13N3O2
Molecular Weight
291.31
Canonical SMILES
Cn1ccc2cc(ncc12)-c1c\c(=N/O)c2ccccc2o1
    Show/Hide
InChI
InChI=1S/C17H13N3O2/c1-20-7-6-11-8-14(18-10-15(11)20)17-9-13(19-21)12-4-2-3-5-16(12)22-17/h2-10,21H,1H3/b19-13+
    Show/Hide
InChIKey
WDWLYJIZBCWKLU-CPNJWEJPSA-N
Physicochemical Property
logP
3.2764
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
63.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 136503374
ChEMBL ID
CHEMBL4068295
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 860 nM
   TI
   LI
   LO
   TS