General Information of the Compound
Compound ID
CP0575749
Compound Name
(6R)-6-cyclopropyl-3-[(4S)-4-(1,3-oxazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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Structure
Formula
C23H21F3N6O3
Molecular Weight
486.454
Canonical SMILES
Fc1cc(NC(=O)N2Cc3c(cnn3C[C@H]2C2CC2)N2C[C@H](CC2=O)c2ncco2)cc(F)c1F
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InChI
InChI=1S/C23H21F3N6O3/c24-15-6-14(7-16(25)21(15)26)29-23(34)31-10-19-17(8-28-32(19)11-18(31)12-1-2-12)30-9-13(5-20(30)33)22-27-3-4-35-22/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H,29,34)/t13-,18-/m0/s1
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InChIKey
FPSKGPUBVVRXGL-UGSOOPFHSA-N
Physicochemical Property
logP
3.6352
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
96.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 166634106
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: PT00295, Capsid protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000617 Hep-G2/2.2.15 Homo sapiens (Human)  1
1
EC50 = 109 nM
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