General Information of the Compound
| Compound ID |
CP0558296
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| Compound Name |
3-(1-methyl-5-phenylpyrazol-4-yl)-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccccc3)n12
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| InChI |
InChI=1S/C18H18N6O/c1-3-9-25-16-12-19-11-15-21-22-18(24(15)16)14-10-20-23(2)17(14)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3
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| InChIKey |
RBMMQQDFXBCTLJ-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