General Information of the Compound
Compound ID
CP0462508
Compound Name
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
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Structure
Formula
C23H18F2N4O
Molecular Weight
404.42
Canonical SMILES
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
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InChI
InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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InChIKey
IRICKCQWXSQVCK-UHFFFAOYSA-N
Physicochemical Property
logP
4.112
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
51.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 127049132
ChEMBL ID
CHEMBL3823474
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
EC50 > 10000 nM
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