General Information of the Compound
Compound ID
CP0567739
Compound Name
N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
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Structure
Formula
C19H16FN7O2
Molecular Weight
393.382
Canonical SMILES
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N
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InChI
InChI=1S/C19H16FN7O2/c1-10-23-15(8-29-10)18(28)24-11-3-4-14(20)13(5-11)19(2)9-27-16(17(22)25-19)6-12(7-21)26-27/h3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,28)/t19-/m0/s1
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InChIKey
VDXFKYHWRXWVOF-IBGZPJMESA-N
Physicochemical Property
logP
2.0769
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
135.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 166631840
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: PT01151, Amyloid-beta precursor protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000151 SK-N-BE(2) Homo sapiens (Human)  1
1
IC50 = 4.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS