General Information of the Compound
| Compound ID |
CP0207294
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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]-4-morpholin-4-ylbutanamide
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| Structure |
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| Formula |
C26H24FN7O2S2
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| Molecular Weight |
549.657
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2nnc(Sc3ccc4nc(NC(=O)CCCN5CCOCC5)sc4c3)n2n1
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| InChI |
InChI=1S/C26H24FN7O2S2/c27-18-5-3-17(4-6-18)20-9-10-23-30-31-26(34(23)32-20)37-19-7-8-21-22(16-19)38-25(28-21)29-24(35)2-1-11-33-12-14-36-15-13-33/h3-10,16H,1-2,11-15H2,(H,28,29,35)
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| InChIKey |
JSWYSKQHDOCKGQ-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