General Information of the Compound
| Compound ID |
CP0875570
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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-(piperidin-1-yl)ethanesulfonamide
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| Structure |
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| Formula |
C28H33N5O4S
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| Molecular Weight |
535.67
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N
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| InChI |
InChI=1S/C28H33N5O4S/c1-19(2)36-26-12-9-20(17-21(26)18-29)28-30-27(31-37-28)24-8-6-7-23-22(24)10-11-25(23)32-38(34,35)16-15-33-13-4-3-5-14-33/h6-9,12,17,19,25,32H,3-5,10-11,13-16H2,1-2H3/t25-/m1/s1
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| InChIKey |
NZCXSQHJCQYAGC-RUZDIDTESA-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