General Information of the Compound
| Compound ID |
CP0873078
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| Compound Name |
(R)-2-((4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)(methyl)amino)-N,N-dimethylacetamide
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CC(=O)N(C)C)no2)cc1C#N
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| InChI |
InChI=1S/C26H29N5O3/c1-16(2)33-23-12-9-17(13-18(23)14-27)26-28-25(29-34-26)21-8-6-7-20-19(21)10-11-22(20)31(5)15-24(32)30(3)4/h6-9,12-13,16,22H,10-11,15H2,1-5H3/t22-/m1/s1
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| InChIKey |
QTANIOBGCFKQTP-JOCHJYFZSA-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