General Information of the Compound
| Compound ID |
CP0542111
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| Compound Name |
3-[2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]pyridin-3-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenyl]-N-(2-hydroxyethyl)propanamide
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| Structure |
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| Formula |
C27H37N5O3
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| Molecular Weight |
479.625
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| Canonical SMILES |
CCc1cc(cc(C)c1CCC(=O)NCCO)-c1noc(n1)-c1cnc(N(C)C(C)C)c(CC)c1
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| InChI |
InChI=1S/C27H37N5O3/c1-7-19-14-21(13-18(5)23(19)9-10-24(34)28-11-12-33)25-30-27(35-31-25)22-15-20(8-2)26(29-16-22)32(6)17(3)4/h13-17,33H,7-12H2,1-6H3,(H,28,34)
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| InChIKey |
MWZONTJTCSEPGI-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