General Information of the Compound
| Compound ID |
CP0342284
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| Compound Name |
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
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| Structure |
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| Formula |
C13H15N3O2S
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| Molecular Weight |
277.349
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| Canonical SMILES |
Cc1nnc(NC(=O)CCCOc2ccccc2)s1
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| InChI |
InChI=1S/C13H15N3O2S/c1-10-15-16-13(19-10)14-12(17)8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,16,17)
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| InChIKey |
SIMMUQMQHVBTMD-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