General Information of the Compound
Compound ID
CP0505444
Compound Name
(7R)-N-(1-adamantyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C18H23F3N4O
Molecular Weight
368.403
Canonical SMILES
FC(F)(F)[C@H]1CCNc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C18H23F3N4O/c19-18(20,21)14-1-2-22-15-13(9-23-25(14)15)16(26)24-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,14,22H,1-8H2,(H,24,26)/t10?,11?,12?,14-,17?/m1/s1
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InChIKey
ZRVBJXLSYBBOGL-HSVOFOGUSA-N
Physicochemical Property
logP
3.5007
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
58.95
Hydrogen Bond Donor Count
2
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: 136032623
ChEMBL ID
CHEMBL1290215
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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