General Information of the Compound
| Compound ID |
CP0491751
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| Compound Name |
3-methoxy-N-[[6-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline
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| Structure |
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| Formula |
C19H19N5O2S
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| Molecular Weight |
381.461
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| Canonical SMILES |
COc1cccc(NCc2nnc3SCC(=Nn23)c2cccc(OC)c2)c1
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| InChI |
InChI=1S/C19H19N5O2S/c1-25-15-7-3-5-13(9-15)17-12-27-19-22-21-18(24(19)23-17)11-20-14-6-4-8-16(10-14)26-2/h3-10,20H,11-12H2,1-2H3
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| InChIKey |
FLJIATFYKRWYMD-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