General Information of the Compound
| Compound ID |
CP0883362
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| Compound Name |
(R)-5-(3-(1-(bis(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 |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)CCO)no2)cc1C#N
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| InChI |
InChI=1S/C25H28N4O4/c1-16(2)32-23-9-6-17(14-18(23)15-26)25-27-24(28-33-25)21-5-3-4-20-19(21)7-8-22(20)29(10-12-30)11-13-31/h3-6,9,14,16,22,30-31H,7-8,10-13H2,1-2H3/t22-/m1/s1
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| InChIKey |
VNDOOJDYFUXMST-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