General Information of the Compound
Compound ID
CP0398357
Compound Name
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
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Structure
Formula
C21H17F2N5O
Molecular Weight
393.397
Canonical SMILES
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2C=CC3=NCCN3C2=O)c(F)c1
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InChI
InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-5-20-24-6-8-28(20)21(27)29/h2-5,7,9-11H,6,8,12H2,1H3
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InChIKey
XXNGCQOLVWGAAV-UHFFFAOYSA-N
Physicochemical Property
logP
3.6819
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
53.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 127049133
ChEMBL ID
CHEMBL3823999
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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