General Information of the Compound
| Compound ID |
CP0861113
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| Compound Name |
(R)-4-(N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)sulfamoyl)benzoic acid
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| Structure |
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| Formula |
C28H24N4O6S
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| Molecular Weight |
544.589
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)c3ccc(C(=O)O)cc3)no2)cc1C#N
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| InChI |
InChI=1S/C28H24N4O6S/c1-16(2)37-25-13-8-18(14-19(25)15-29)27-30-26(31-38-27)23-5-3-4-22-21(23)11-12-24(22)32-39(35,36)20-9-6-17(7-10-20)28(33)34/h3-10,13-14,16,24,32H,11-12H2,1-2H3,(H,33,34)/t24-/m1/s1
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| InChIKey |
MESILLTUHXVKAE-XMMPIXPASA-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