General Information of the Compound
| Compound ID |
CP0067872
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| Compound Name |
2-[4-[4-(6-fluoropyridin-2-yl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
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| Structure |
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| Formula |
C17H23FN6O2
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| Molecular Weight |
362.409
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| Canonical SMILES |
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(F)n2)c1=O
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| InChI |
InChI=1S/C17H23FN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3
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| InChIKey |
WLMOZTMDNWZSCV-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