General Information of the Compound
| Compound ID |
CP0946725
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| Compound Name |
(R)-5-(3-(1-(ethyl(2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
CCN(CCO)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C25H28N4O3/c1-4-29(12-13-30)22-10-9-19-20(22)6-5-7-21(19)24-27-25(32-28-24)17-8-11-23(31-16(2)3)18(14-17)15-26/h5-8,11,14,16,22,30H,4,9-10,12-13H2,1-3H3/t22-/m1/s1
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| InChIKey |
FYLRNCWEWDPTCZ-JOCHJYFZSA-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