General Information of the Compound
Compound ID
CP0767322
Compound Name
rac-6-((1-Isopropylpiperidin-3-yl)methyl)-2-(4-methoxyphenyl)-5-o-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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Structure
Formula
C28H33N5O2
Molecular Weight
471.605
Canonical SMILES
COc1ccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)cc1
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InChI
InChI=1S/C28H33N5O2/c1-19(2)31-15-7-9-21(16-31)17-32-27(24-10-6-5-8-20(24)3)29-25-18-33(30-26(25)28(32)34)22-11-13-23(35-4)14-12-22/h5-6,8,10-14,18-19,21H,7,9,15-17H2,1-4H3
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InChIKey
LYRYFQXBFWTGNA-UHFFFAOYSA-N
Physicochemical Property
logP
4.68662
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
65.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 90666011
ChEMBL ID
CHEMBL3218884
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: PT01155, Growth hormone secretagogue receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7.3 nM
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