General Information of the Compound
Compound ID
CP0533990
Compound Name
piperidin-4-ylmethyl N-(2-phenylphenyl)carbamate
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Structure
Formula
C19H22N2O2
Molecular Weight
310.397
Canonical SMILES
O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1
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InChI
InChI=1S/C19H22N2O2/c22-19(23-14-15-10-12-20-13-11-15)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9,15,20H,10-14H2,(H,21,22)
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InChIKey
PEOXDNXZHVLPEP-UHFFFAOYSA-N
Physicochemical Property
logP
3.9017
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 156013794
ChEMBL ID
CHEMBL4636302
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 = 1.8 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 = 17 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 = 0.47 nM
   TI
   LI
   LO
   TS