General Information of the Compound
| Compound ID |
CP0508406
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| Compound Name |
3-[5-(4-methylphenyl)-1H-pyrazol-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(-c3c[nH]nc3-c3ccc(C)cc3)n12
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| InChI |
InChI=1S/C18H18N6O/c1-3-8-25-16-11-19-10-15-21-23-18(24(15)16)14-9-20-22-17(14)13-6-4-12(2)5-7-13/h4-7,9-11H,3,8H2,1-2H3,(H,20,22)
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| InChIKey |
IDKCTZSTQZECQU-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