General Information of the Compound
| Compound ID |
CP0454260
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| Compound Name |
(+/-)-N-(2-(4-chlorophenyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl)-2-ethyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
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| Structure |
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| Formula |
C28H32ClN3O4
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| Molecular Weight |
510.034
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| Canonical SMILES |
CCc1ccccc1C(=O)N(C(Cc1ccc(Cl)cc1)c1noc(C)n1)C1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C28H32ClN3O4/c1-3-21-6-4-5-7-24(21)27(33)32(23-12-14-28(15-13-23)34-16-17-35-28)25(26-30-19(2)36-31-26)18-20-8-10-22(29)11-9-20/h4-11,23,25H,3,12-18H2,1-2H3
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| InChIKey |
RXLFSZALAMVPJJ-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