General Information of the Compound
| Compound ID |
CP0864434
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| Compound Name |
2-isopropoxy-5-(3-((S)-1-(((2R,3S,4R)-2,3,4,5-tetrahydroxypentyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C26H30N4O6
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| Molecular Weight |
494.548
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC[C@@H](O)[C@H](O)[C@H](O)CO)no2)cc1C#N
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| InChI |
InChI=1S/C26H30N4O6/c1-14(2)35-23-9-6-15(10-16(23)11-27)26-29-25(30-36-26)19-5-3-4-18-17(19)7-8-20(18)28-12-21(32)24(34)22(33)13-31/h3-6,9-10,14,20-22,24,28,31-34H,7-8,12-13H2,1-2H3/t20-,21+,22+,24-/m0/s1
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| InChIKey |
ULQLYEYSEOSZIO-NXYDZRKXSA-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