General Information of the Compound
| Compound ID |
CP0260316
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| Compound Name |
3-(1-benzotriazolylmethyl)-6-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C17H13N7S
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| Molecular Weight |
347.407
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| Canonical SMILES |
C(c1nn2c(Cn3nnc4ccccc34)nnc2s1)c1ccccc1
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| InChI |
InChI=1S/C17H13N7S/c1-2-6-12(7-3-1)10-16-21-24-15(19-20-17(24)25-16)11-23-14-9-5-4-8-13(14)18-22-23/h1-9H,10-11H2
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| InChIKey |
MNNKRGMSLHQOQF-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