General Information of the Compound
| Compound ID |
CP0375297
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| Compound Name |
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]nonanamide
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| Structure |
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| Formula |
C18H25N3O3S
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| Molecular Weight |
363.483
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| Canonical SMILES |
CCCCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C18H25N3O3S/c1-3-4-5-6-7-8-9-16(23)19-18-21-20-17(25-18)13-10-11-14(22)15(12-13)24-2/h10-12,22H,3-9H2,1-2H3,(H,19,21,23)
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| InChIKey |
VMUGFJHHAQTKCY-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