General Information of the Compound
Compound ID
CP0458427
Compound Name
(NE)-N-(6-cyclopropyl-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
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Structure
Formula
C21H16N2O2
Molecular Weight
328.371
Canonical SMILES
O\N=c1/cc(oc2ccc(cc12)C1CC1)-c1cc2ccccc2cn1
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InChI
InChI=1S/C21H16N2O2/c24-23-18-11-21(19-10-14-3-1-2-4-16(14)12-22-19)25-20-8-7-15(9-17(18)20)13-5-6-13/h1-4,7-13,24H,5-6H2/b23-18+
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InChIKey
KFGYBFXWZMUZNI-PTGBLXJZSA-N
Physicochemical Property
logP
4.8153
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
58.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 137645909
ChEMBL ID
CHEMBL4085608
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 = 1010 nM
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