General Information of the Compound
| Compound ID |
CP0955061
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| Compound Name |
5-(3-((S)-1-(((S)-1-hydroxypropan-2-yl)amino)-2,3-dihydro-1H-inden-4-yl)-l,2,4-oxadiazo1-5-yl)-2-isopropoxybenzonitrile
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@@H](C)CO)no2)cc1C#N
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| InChI |
InChI=1S/C24H26N4O3/c1-14(2)30-22-10-7-16(11-17(22)12-25)24-27-23(28-31-24)20-6-4-5-19-18(20)8-9-21(19)26-15(3)13-29/h4-7,10-11,14-15,21,26,29H,8-9,13H2,1-3H3/t15-,21-/m0/s1
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| InChIKey |
KWBICGIAQJQQIG-BTYIYWSLSA-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