General Information of the Compound
| Compound ID |
CP0143156
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| Compound Name |
5-[6-(3-bromophenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C14H8BrN5S2
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| Molecular Weight |
390.291
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| Canonical SMILES |
Brc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
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| InChI |
InChI=1S/C14H8BrN5S2/c15-9-2-1-3-10(6-9)22-13-5-4-12-17-18-14(20(12)19-13)11-7-16-8-21-11/h1-8H
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| InChIKey |
YYZYZNAXTPJPBW-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