General Information of the Compound
| Compound ID |
CP0861112
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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)-2-(dimethylamino)ethanesulfonamide
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| Structure |
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| Formula |
C25H29N5O4S
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| Molecular Weight |
495.605
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN(C)C)no2)cc1C#N
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| InChI |
InChI=1S/C25H29N5O4S/c1-16(2)33-23-11-8-17(14-18(23)15-26)25-27-24(28-34-25)21-7-5-6-20-19(21)9-10-22(20)29-35(31,32)13-12-30(3)4/h5-8,11,14,16,22,29H,9-10,12-13H2,1-4H3/t22-/m1/s1
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| InChIKey |
CVKXXNQTZCGEJZ-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