General Information of the Compound
| Compound ID |
CP0479997
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| Compound Name |
N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide
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| Structure |
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| Formula |
C13H13N5OS
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| Molecular Weight |
287.348
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| Canonical SMILES |
CCC(=O)Nc1nn2c(nnc2s1)-c1cccc(C)c1
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| InChI |
InChI=1S/C13H13N5OS/c1-3-10(19)14-12-17-18-11(15-16-13(18)20-12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,14,17,19)
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| InChIKey |
IMLISPBCIBHDCW-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