General Information of the Compound
Compound ID
CP0548466
Compound Name
6-(1,3-benzodioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
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Structure
Formula
C15H17N3O2
Molecular Weight
271.32
Canonical SMILES
Nc1ncc2CCC(Cc3cccc4OCOc34)Cn12
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InChI
InChI=1S/C15H17N3O2/c16-15-17-7-12-5-4-10(8-18(12)15)6-11-2-1-3-13-14(11)20-9-19-13/h1-3,7,10H,4-6,8-9H2,(H2,16,17)
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InChIKey
GXMMFNNBTMLUSG-UHFFFAOYSA-N
Physicochemical Property
logP
1.9991
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
62.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 137633377
ChEMBL ID
CHEMBL4066475
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: PT03193, Polycomb protein EED
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000175 G-401 Homo sapiens (Human)  1
1
IC50 = 1000 nM
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