General Information of the Compound
| Compound ID |
CP0848220
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| Compound Name |
2-hydroxy-5-(3-(1-((2-hydroxyethyl)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 |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
N#Cc1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1O
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| InChI |
InChI=1S/C20H18N4O3/c21-11-13-10-12(4-7-18(13)26)20-23-19(24-27-20)16-3-1-2-15-14(16)5-6-17(15)22-8-9-25/h1-4,7,10,17,22,25-26H,5-6,8-9H2
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| InChIKey |
UEYSRRKRVVEIKC-UHFFFAOYSA-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