General Information of the Compound
| Compound ID |
CP0013234
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| Compound Name |
(3R)-3-[2-[[5-chloro-3-(difluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]butanenitrile
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| Formula |
C16H15ClF2N6O
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| Molecular Weight |
380.786
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| Canonical SMILES |
C[C@H](CC#N)n1cc(C)n2nc(Cn3nc(cc3Cl)C(F)F)cc2c1=O
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| InChI |
InChI=1S/C16H15ClF2N6O/c1-9(3-4-20)23-7-10(2)25-13(16(23)26)5-11(21-25)8-24-14(17)6-12(22-24)15(18)19/h5-7,9,15H,3,8H2,1-2H3/t9-/m1/s1
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| InChIKey |
BEBDKSYNJJVZSO-SECBINFHSA-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