General Information of the Compound
| Compound ID |
CP0394847
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| Compound Name |
N-[3-cyano-5-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-yl]-2-ethylbutanamide
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| Structure |
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| Formula |
C21H20Cl2N4O2S
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| Molecular Weight |
463.39
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| Canonical SMILES |
CCC(CC)C(=O)Nc1sc(c(C)c1C#N)-c1nc(Cc2ccc(Cl)cc2Cl)no1
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| InChI |
InChI=1S/C21H20Cl2N4O2S/c1-4-12(5-2)19(28)26-21-15(10-24)11(3)18(30-21)20-25-17(27-29-20)8-13-6-7-14(22)9-16(13)23/h6-7,9,12H,4-5,8H2,1-3H3,(H,26,28)
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| InChIKey |
KGZCDFKKMRYQMI-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