General Information of the Compound
Compound ID
CP0575080
Compound Name
(6S)-6-methyl-3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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Structure
Formula
C24H22F3N5O2
Molecular Weight
469.467
Canonical SMILES
C[C@H]1Cn2ncc(N3C[C@@H](CC3=O)c3ccccc3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
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InChI
InChI=1S/C24H22F3N5O2/c1-14-11-32-21(13-30(14)24(34)29-17-8-18(25)23(27)19(26)9-17)20(10-28-32)31-12-16(7-22(31)33)15-5-3-2-4-6-15/h2-6,8-10,14,16H,7,11-13H2,1H3,(H,29,34)/t14-,16+/m0/s1
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InChIKey
LFEQMPLGYCXMOS-GOEBONIOSA-N
Physicochemical Property
logP
4.2571
Rotatable Bonds
3
Heavy Atom Count
34
Polar Areas
70.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 166627192
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 = 4 nM
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