General Information of the Compound
| Compound ID |
CP0495078
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| Compound Name |
N-[3-cyano-4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-2-ethylbutanamide
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| Structure |
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| Formula |
C18H24N4O2S
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| Molecular Weight |
360.483
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| Canonical SMILES |
CCC(CC)C(=O)Nc1sc(c(C)c1C#N)-c1nc(CC(C)C)no1
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| InChI |
InChI=1S/C18H24N4O2S/c1-6-12(7-2)16(23)21-18-13(9-19)11(5)15(25-18)17-20-14(22-24-17)8-10(3)4/h10,12H,6-8H2,1-5H3,(H,21,23)
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| InChIKey |
PRNCDIPITKPRJZ-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