General Information of the Compound
| Compound ID |
CP0441205
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| Compound Name |
3-(benzimidazol-1-ylmethyl)-6-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C17H11BrN6S
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| Molecular Weight |
411.288
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| Canonical SMILES |
Brc1cccc(c1)-c1nn2c(Cn3cnc4ccccc34)nnc2s1
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| InChI |
InChI=1S/C17H11BrN6S/c18-12-5-3-4-11(8-12)16-22-24-15(20-21-17(24)25-16)9-23-10-19-13-6-1-2-7-14(13)23/h1-8,10H,9H2
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| InChIKey |
JXWQZXCIVDBCOA-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