General Information of the Compound
| Compound ID |
CP0333770
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| Compound Name |
4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
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| Structure |
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| Formula |
C16H12N4OS
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| Molecular Weight |
308.366
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| Canonical SMILES |
Oc1ccc(Cc2nnc3ccc(nn23)-c2cccs2)cc1
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| InChI |
InChI=1S/C16H12N4OS/c21-12-5-3-11(4-6-12)10-16-18-17-15-8-7-13(19-20(15)16)14-2-1-9-22-14/h1-9,21H,10H2
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| InChIKey |
SNZHSOXSUDAZPM-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