General Information of the Compound
Compound ID
CP0384439
Compound Name
1-methyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furo[2,3-c]pyrazole-5-carboxamide
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Structure
Formula
C24H27N7O2
Molecular Weight
445.527
Canonical SMILES
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2o1)-c1ccccc1
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InChI
InChI=1S/C24H27N7O2/c1-17(16-30-11-13-31(14-12-30)24-25-9-6-10-26-24)27-22(32)20-15-19-21(18-7-4-3-5-8-18)28-29(2)23(19)33-20/h3-10,15,17H,11-14,16H2,1-2H3,(H,27,32)
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InChIKey
NHHOPGGRIJFZHR-UHFFFAOYSA-N
Physicochemical Property
logP
2.5638
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
92.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
33

"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: 46231933
ChEMBL ID
CHEMBL599546
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: PT05900, P2X purinoceptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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