General Information of the Compound
| Compound ID |
CP0296605
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| Compound Name |
4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
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| Structure |
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| Formula |
C17H14N4OS
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| Molecular Weight |
322.393
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| Canonical SMILES |
Cc1csc(c1)-c1ccc2nnc(Cc3ccc(O)cc3)n2n1
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| InChI |
InChI=1S/C17H14N4OS/c1-11-8-15(23-10-11)14-6-7-16-18-19-17(21(16)20-14)9-12-2-4-13(22)5-3-12/h2-8,10,22H,9H2,1H3
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| InChIKey |
QYFIQRSFZFEVOJ-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