General Information of the Compound
Compound ID
CP0908532
Compound Name
4-((6-chloropyridin-3-yl)methyl)-1-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-2-naphthamide
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Structure
Formula
C25H27ClN2O2
Molecular Weight
422.956
Canonical SMILES
CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12
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InChI
InChI=1S/C25H27ClN2O2/c1-2-18-20-8-4-3-7-19(20)17(13-16-11-12-24(26)27-15-16)14-21(18)25(30)28-22-9-5-6-10-23(22)29/h3-4,7-8,11-12,14-15,22-23,29H,2,5-6,9-10,13H2,1H3,(H,28,30)/t22-,23-/m0/s1
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InChIKey
UMEFIVSINWKUBU-GOTSBHOMSA-N
Physicochemical Property
logP
5.0747
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 76314632
ChEMBL ID
CHEMBL3126666
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Activity = 7400 nM
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