General Information of the Compound
| Compound ID |
CP0454137
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| Compound Name |
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]octanamide
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| Structure |
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| Formula |
C17H23N3O3S
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| Molecular Weight |
349.456
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| Canonical SMILES |
CCCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C17H23N3O3S/c1-3-4-5-6-7-8-15(22)18-17-20-19-16(24-17)12-9-10-13(21)14(11-12)23-2/h9-11,21H,3-8H2,1-2H3,(H,18,20,22)
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| InChIKey |
CLYGEOIHYUCALV-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