General Information of the Compound
| Compound ID |
CP0964205
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| Compound Name |
(R)-5-(3-(1-(benzylamino)-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 |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCc3ccccc3)no2)cc1C#N
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| InChI |
InChI=1S/C28H26N4O2/c1-18(2)33-26-14-11-20(15-21(26)16-29)28-31-27(32-34-28)24-10-6-9-23-22(24)12-13-25(23)30-17-19-7-4-3-5-8-19/h3-11,14-15,18,25,30H,12-13,17H2,1-2H3/t25-/m1/s1
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| InChIKey |
UVIFLIWWTQZOOB-RUZDIDTESA-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