General Information of the Compound
Compound ID
CP0567290
Compound Name
3-(1-benzofuran-4-ylmethyl)piperidine-1-carboximidamide
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Structure
Formula
C15H19N3O
Molecular Weight
257.337
Canonical SMILES
NC(=N)N1CCCC(Cc2cccc3occc23)C1
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InChI
InChI=1S/C15H19N3O/c16-15(17)18-7-2-3-11(10-18)9-12-4-1-5-14-13(12)6-8-19-14/h1,4-6,8,11H,2-3,7,9-10H2,(H3,16,17)
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InChIKey
ZLIBCFZIBCZWNW-UHFFFAOYSA-N
Physicochemical Property
logP
2.58077
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
66.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 137656162
ChEMBL ID
CHEMBL4096427
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 = 2500 nM
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