General Information of the Compound
Compound ID
CP0535784
Compound Name
(NE)-N-[2-(1H-indol-2-yl)chromen-4-ylidene]hydroxylamine
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Structure
Formula
C17H12N2O2
Molecular Weight
276.295
Canonical SMILES
O\N=c1/cc(oc2ccccc12)-c1cc2ccccc2[nH]1
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InChI
InChI=1S/C17H12N2O2/c20-19-14-10-17(21-16-8-4-2-6-12(14)16)15-9-11-5-1-3-7-13(11)18-15/h1-10,18,20H/b19-14+
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InChIKey
GNISLYLQHRTGOI-XMHGGMMESA-N
Physicochemical Property
logP
3.871
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
61.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 137631652
ChEMBL ID
CHEMBL4065348
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 > 30000 nM
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