General Information of the Compound
| Compound ID |
CP0015329
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| Compound Name |
3-[2-[[5-chloro-3-(difluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
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| Structure |
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| Formula |
C15H13ClF2N6O
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| Molecular Weight |
366.759
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| Canonical SMILES |
Cc1cn(CCC#N)c(=O)c2cc(Cn3nc(cc3Cl)C(F)F)nn12
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| InChI |
InChI=1S/C15H13ClF2N6O/c1-9-7-22(4-2-3-19)15(25)12-5-10(20-24(9)12)8-23-13(16)6-11(21-23)14(17)18/h5-7,14H,2,4,8H2,1H3
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| InChIKey |
XQRYJFBBEGHCDR-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound