General Information of the Compound
| Compound ID |
CP0946715
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| Compound Name |
5-(3-(1-((S)-3-hydroxypyrrolidin-1-yl)-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 |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@H](O)C3)no2)cc1C#N
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| InChI |
InChI=1S/C25H26N4O3/c1-15(2)31-23-9-6-16(12-17(23)13-26)25-27-24(28-32-25)21-5-3-4-20-19(21)7-8-22(20)29-11-10-18(30)14-29/h3-6,9,12,15,18,22,30H,7-8,10-11,14H2,1-2H3/t18-,22?/m0/s1
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| InChIKey |
KLLWVQBRUNAYAP-HXBUSHRASA-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