General Information of the Compound
| Compound ID |
CP0861102
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| Compound Name |
(S)-3-(N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)sulfamoyl)propanoic acid
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| Structure |
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| Formula |
C24H24N4O6S
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| Molecular Weight |
496.545
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCC(=O)O)no2)cc1C#N
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| InChI |
InChI=1S/C24H24N4O6S/c1-14(2)33-21-9-6-15(12-16(21)13-25)24-26-23(27-34-24)19-5-3-4-18-17(19)7-8-20(18)28-35(31,32)11-10-22(29)30/h3-6,9,12,14,20,28H,7-8,10-11H2,1-2H3,(H,29,30)/t20-/m0/s1
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| InChIKey |
DPVRGIIWMXVBIM-FQEVSTJZSA-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