General Information of the Compound
| Compound ID |
CP0025453
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| Compound Name |
1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3k
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| Structure |
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| Formula |
C15H14F2N6O2S
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| Molecular Weight |
380.38
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C15H14F2N6O2S/c16-12-2-1-3-13(17)11(12)8-23-14(18)21-15(22-23)20-9-4-6-10(7-5-9)26(19,24)25/h1-7H,8H2,(H2,19,24,25)(H3,18,20,21,22)
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| InChIKey |
YWEKAQYXDFMHKY-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