General Information of the Compound
| Compound ID |
CP0543676
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| Compound Name |
3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
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| Structure |
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| Formula |
C21H24F2N6
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| Molecular Weight |
398.461
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| Canonical SMILES |
CC(C)Nc1nc2ccncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C21H24F2N6/c1-14(2)25-20-21(27-19-12-24-6-5-18(19)26-20)29-9-7-28(8-10-29)13-15-3-4-16(22)11-17(15)23/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,26)
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| InChIKey |
GSVMOTYTXCRGFQ-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