General Information of the Compound
| Compound ID |
CP0402324
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| Compound Name |
N-[[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]-3-methoxyaniline
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| Structure |
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| Formula |
C18H16BrN5OS
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| Molecular Weight |
430.331
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| Canonical SMILES |
COc1cccc(NCc2nnc3SCC(=Nn23)c2ccc(Br)cc2)c1
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| InChI |
InChI=1S/C18H16BrN5OS/c1-25-15-4-2-3-14(9-15)20-10-17-21-22-18-24(17)23-16(11-26-18)12-5-7-13(19)8-6-12/h2-9,20H,10-11H2,1H3
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| InChIKey |
WXGHBBWBZNSCQQ-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