General Information of the Compound
| Compound ID |
CP0966787
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| Compound Name |
N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-ethoxyacetamide
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| Structure |
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| Formula |
C25H26N4O4
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| Molecular Weight |
446.507
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| Canonical SMILES |
CCOCC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C25H26N4O4/c1-4-31-14-23(30)27-21-10-9-18-19(21)6-5-7-20(18)24-28-25(33-29-24)16-8-11-22(32-15(2)3)17(12-16)13-26/h5-8,11-12,15,21H,4,9-10,14H2,1-3H3,(H,27,30)
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| InChIKey |
UJRWHFFPFIDBQR-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