General Information of the Compound
Compound ID
CP0476152
Compound Name
6-Ethoxy-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
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Structure
Formula
C22H26N2O2
Molecular Weight
350.462
Canonical SMILES
CCOc1ccc2n(C(C)C)c(=O)nc(-c3ccc(cc3)C(C)C)c2c1
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InChI
InChI=1S/C22H26N2O2/c1-6-26-18-11-12-20-19(13-18)21(23-22(25)24(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15H,6H2,1-5H3
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InChIKey
NRPKPAYBJWZZMX-UHFFFAOYSA-N
Physicochemical Property
logP
5.1665
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 45140004
SID: 92389933
ChEMBL ID
CHEMBL608721
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: PT01916, Extracellular calcium-sensing receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000351 Dede Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2200 nM
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