General Information of the Compound
| Compound ID |
CP0861111
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| Compound Name |
(R)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
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| Structure |
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| Formula |
C22H22N4O4S
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| Molecular Weight |
438.509
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(C)(=O)=O)no2)cc1C#N
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| InChI |
InChI=1S/C22H22N4O4S/c1-13(2)29-20-10-7-14(11-15(20)12-23)22-24-21(25-30-22)18-6-4-5-17-16(18)8-9-19(17)26-31(3,27)28/h4-7,10-11,13,19,26H,8-9H2,1-3H3/t19-/m1/s1
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| InChIKey |
OFRQMGXNQRVMGN-LJQANCHMSA-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