General Information of the Compound
| Compound ID |
CP0364749
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| Compound Name |
4-[[6-(3-chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-2-fluorophenol
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| Structure |
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| Formula |
C16H11ClFN5OS
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| Molecular Weight |
375.816
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| Canonical SMILES |
Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1F
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| InChI |
InChI=1S/C16H11ClFN5OS/c17-10-2-1-3-11(8-10)19-15-22-23-14(20-21-16(23)25-15)7-9-4-5-13(24)12(18)6-9/h1-6,8,24H,7H2,(H,19,22)
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| InChIKey |
MDQXNVZAFBXRIJ-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