General Information of the Compound
Compound ID
CP0574302
Compound Name
(NE)-N-[6-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
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Structure
Formula
C25H29N5O3
Molecular Weight
447.539
Canonical SMILES
CN(C)C1CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3cccn3cn2)CC1
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InChI
InChI=1S/C25H29N5O3/c1-28(2)18-7-10-29(11-8-18)12-13-32-20-5-6-24-21(15-20)22(27-31)16-25(33-24)23-14-19-4-3-9-30(19)17-26-23/h3-6,9,14-18,31H,7-8,10-13H2,1-2H3/b27-22+
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InChIKey
AHEXZJGFKHLNFI-HPNDGRJYSA-N
Physicochemical Property
logP
3.4422
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
78.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
33

"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: 89106981
ChEMBL ID
CHEMBL4062426
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 = 165 nM
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