General Information of the Compound
| Compound ID |
CP0139067
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| Compound Name |
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
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| Structure |
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| Formula |
C17H15N7O
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| Molecular Weight |
333.355
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4OCCc4c3)c2n1
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| InChI |
InChI=1S/C17H15N7O/c1-23-10-13(7-19-23)14-8-18-16-17(20-14)24(22-21-16)9-11-2-3-15-12(6-11)4-5-25-15/h2-3,6-8,10H,4-5,9H2,1H3
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| InChIKey |
RDULYZJLNXXKAK-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