General Information of the Compound
Compound ID
CP0486110
Compound Name
(2R)-2-(4-fluorophenyl)-2-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]acetamide
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Structure
Formula
C19H23FN4O
Molecular Weight
342.418
Canonical SMILES
NC(=O)[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1
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InChI
InChI=1S/C19H23FN4O/c20-15-6-4-14(5-7-15)18(19(21)25)23-16-8-11-24(12-9-16)13-17-3-1-2-10-22-17/h1-7,10,16,18,23H,8-9,11-13H2,(H2,21,25)/t18-/m1/s1
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InChIKey
PRQYLVANLSNBBT-GOSISDBHSA-N
Physicochemical Property
logP
2.0013
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
71.25
Hydrogen Bond Donor Count
2
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: 95177310
ChEMBL ID
CHEMBL4169128
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: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 45700 nM
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