General Information of the Compound
| Compound ID |
CP0067873
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| Compound Name |
4-methyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione
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| Structure |
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| Formula |
C17H24N6O2
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| Molecular Weight |
344.419
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| Canonical SMILES |
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccn2)c1=O
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| InChI |
InChI=1S/C17H24N6O2/c1-20-16(24)14-19-23(17(20)25)9-5-4-8-21-10-12-22(13-11-21)15-6-2-3-7-18-15/h2-3,6-7,14H,4-5,8-13H2,1H3
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| InChIKey |
ZXGRMQACDGUTBN-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