General Information of the Compound
| Compound ID |
CP0958682
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| Compound Name |
3-(4-(2,4-difluorobenzyl)piperazin-1-yl)-7-methyl-N-(oxetan-3-yl)pyrido[3,4-b]pyrazin-2-amine
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| Structure |
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| Formula |
C22H24F2N6O
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| Molecular Weight |
426.471
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| Canonical SMILES |
Cc1cc2nc(NC3COC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C22H24F2N6O/c1-14-8-19-20(10-25-14)28-22(21(27-19)26-17-12-31-13-17)30-6-4-29(5-7-30)11-15-2-3-16(23)9-18(15)24/h2-3,8-10,17H,4-7,11-13H2,1H3,(H,26,27)
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| InChIKey |
PCEDCXBIIDNJOX-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