General Information of the Compound
| Compound ID |
CP0955064
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| Compound Name |
5-(3-(1-(cyclohexylamino)-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 |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC3CCCCC3)no2)cc1C#N
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| InChI |
InChI=1S/C27H30N4O2/c1-17(2)32-25-14-11-18(15-19(25)16-28)27-30-26(31-33-27)23-10-6-9-22-21(23)12-13-24(22)29-20-7-4-3-5-8-20/h6,9-11,14-15,17,20,24,29H,3-5,7-8,12-13H2,1-2H3
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| InChIKey |
MONDILYVTNGWHJ-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