General Information of the Compound
| Compound ID |
CP0444356
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| Compound Name |
N-[5-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]hexanamide
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| Structure |
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| Formula |
C15H18IN3O3S
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| Molecular Weight |
447.298
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| Canonical SMILES |
CCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1
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| InChI |
InChI=1S/C15H18IN3O3S/c1-3-4-5-6-12(20)17-15-19-18-14(23-15)9-7-10(16)13(21)11(8-9)22-2/h7-8,21H,3-6H2,1-2H3,(H,17,19,20)
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| InChIKey |
VTEBRQCNVDRVGM-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