General Information of the Compound
| Compound ID |
CP0273535
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| Compound Name |
N-ethyl-6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C20H15FN6S2
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| Molecular Weight |
422.514
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| Canonical SMILES |
CCNc1nc2ccc(Sc3nnc4ccc(nn34)-c3ccc(F)cc3)cc2s1
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| InChI |
InChI=1S/C20H15FN6S2/c1-2-22-19-23-16-8-7-14(11-17(16)29-19)28-20-25-24-18-10-9-15(26-27(18)20)12-3-5-13(21)6-4-12/h3-11H,2H2,1H3,(H,22,23)
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| InChIKey |
FXSAUUNZLUWLRE-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