General Information of the Compound
Compound ID
CP0474250
Compound Name
(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
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Structure
Formula
C16H10N2O2S
Molecular Weight
294.335
Canonical SMILES
O\N=c1/cc(oc2ccccc12)-c1cc2ccsc2cn1
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InChI
InChI=1S/C16H10N2O2S/c19-18-12-8-15(20-14-4-2-1-3-11(12)14)13-7-10-5-6-21-16(10)9-17-13/h1-9,19H/b18-12+
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InChIKey
XZJOHJLRBAQIDO-LDADJPATSA-N
Physicochemical Property
logP
3.9994
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
58.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 136503386
ChEMBL ID
CHEMBL4097178
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 = 130 nM
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