General Information of the Compound
Compound ID
CP0391240
Compound Name
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
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Structure
Formula
C19H21FN2O2
Molecular Weight
328.387
Canonical SMILES
Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1
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InChI
InChI=1S/C19H21FN2O2/c20-16-6-7-18(17(12-16)15-4-2-1-3-5-15)22-19(23)24-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
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InChIKey
LWKFTNSSJJTMGU-UHFFFAOYSA-N
Physicochemical Property
logP
4.0408
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 138711325
ChEMBL ID
CHEMBL4644852
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 2.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 52 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 0.63 nM
   TI
   LI
   LO
   TS