General Information of the Compound
| Compound ID |
CP0958196
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| Compound Name |
2-((S)-2,3-dihydroxypropoxy)-5-(3-(1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C23H24N4O5
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| Molecular Weight |
436.468
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| Canonical SMILES |
N#Cc1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1OC[C@@H](O)CO
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| InChI |
InChI=1S/C23H24N4O5/c24-11-15-10-14(4-7-21(15)31-13-16(30)12-29)23-26-22(27-32-23)19-3-1-2-18-17(19)5-6-20(18)25-8-9-28/h1-4,7,10,16,20,25,28-30H,5-6,8-9,12-13H2/t16-,20?/m0/s1
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| InChIKey |
WQSNKTBQWRFZCI-DJZRFWRSSA-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