General Information of the Compound
| Compound ID |
CP0544618
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| Compound Name |
5-(4-(2,4-difluorophenoxy)piperidin-1-yl)-6-(isopropylamino)pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C19H21F2N5O
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| Molecular Weight |
373.407
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| Canonical SMILES |
CC(C)Nc1nc(cnc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
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| InChI |
InChI=1S/C19H21F2N5O/c1-12(2)24-18-19(23-11-14(10-22)25-18)26-7-5-15(6-8-26)27-17-4-3-13(20)9-16(17)21/h3-4,9,11-12,15H,5-8H2,1-2H3,(H,24,25)
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| InChIKey |
PJPUXSYJYLFQDS-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