General Information of the Compound
| Compound ID |
CP0869395
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| Compound Name |
2-isopropoxy-5-(3-((S)-1-((S)-1-phenylethylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C29H28N4O2
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| Molecular Weight |
464.569
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@@H](C)c3ccccc3)no2)cc1C#N
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| InChI |
InChI=1S/C29H28N4O2/c1-18(2)34-27-15-12-21(16-22(27)17-30)29-32-28(33-35-29)25-11-7-10-24-23(25)13-14-26(24)31-19(3)20-8-5-4-6-9-20/h4-12,15-16,18-19,26,31H,13-14H2,1-3H3/t19-,26-/m0/s1
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| InChIKey |
JQMYJKHEYDAWDP-SIBVEZHUSA-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