General Information of the Compound
| Compound ID |
CP0149774
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| Compound Name |
N-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H15FN6OS2
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| Molecular Weight |
462.535
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)sc4c3)n2n1
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| InChI |
InChI=1S/C22H15FN6OS2/c23-14-5-3-12(4-6-14)16-9-10-19-26-27-22(29(19)28-16)31-15-7-8-17-18(11-15)32-21(24-17)25-20(30)13-1-2-13/h3-11,13H,1-2H2,(H,24,25,30)
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| InChIKey |
TXOAIEIEDUCXGF-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