General Information of the Compound
| Compound ID |
CP0454248
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| Compound Name |
3-methyl-N-(3-o-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
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| Structure |
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| Formula |
C18H15N5OS
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| Molecular Weight |
349.419
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| Canonical SMILES |
Cc1cccc(c1)C(=O)Nc1nn2c(nnc2s1)-c1ccccc1C
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| InChI |
InChI=1S/C18H15N5OS/c1-11-6-5-8-13(10-11)16(24)19-17-22-23-15(20-21-18(23)25-17)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,19,22,24)
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| InChIKey |
VABURYAFIGPWSL-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