General Information of the Compound
| Compound ID |
CP0946726
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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)-N-(2-hydroxyethyl)benzenesulfonamide
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| Structure |
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| Formula |
C29H28N4O5S
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| Molecular Weight |
544.633
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)S(=O)(=O)c3ccccc3)no2)cc1C#N
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| InChI |
InChI=1S/C29H28N4O5S/c1-19(2)37-27-14-11-20(17-21(27)18-30)29-31-28(32-38-29)25-10-6-9-24-23(25)12-13-26(24)33(15-16-34)39(35,36)22-7-4-3-5-8-22/h3-11,14,17,19,26,34H,12-13,15-16H2,1-2H3/t26-/m1/s1
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| InChIKey |
JMMURUHUDIBOLA-AREMUKBSSA-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