General Information of the Compound
| Compound ID |
CP0553123
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| Compound Name |
4-[[6-(3-chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
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| Structure |
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| Formula |
C16H12ClN5OS
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| Molecular Weight |
357.826
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| Canonical SMILES |
Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1
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| InChI |
InChI=1S/C16H12ClN5OS/c17-11-2-1-3-12(9-11)18-15-21-22-14(19-20-16(22)24-15)8-10-4-6-13(23)7-5-10/h1-7,9,23H,8H2,(H,18,21)
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| InChIKey |
SNAGXDMMOSASIP-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