General Information of the Compound
| Compound ID |
CP0919540
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| Compound Name |
(S)-2-(azetidin-1-yl)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-oxoethanesulfonamide
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| Structure |
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| Formula |
C26H27N5O5S
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| Molecular Weight |
521.599
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CCC3)no2)cc1C#N
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| InChI |
InChI=1S/C26H27N5O5S/c1-16(2)35-23-10-7-17(13-18(23)14-27)26-28-25(29-36-26)21-6-3-5-20-19(21)8-9-22(20)30-37(33,34)15-24(32)31-11-4-12-31/h3,5-7,10,13,16,22,30H,4,8-9,11-12,15H2,1-2H3/t22-/m0/s1
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| InChIKey |
IVCQFNXBDYXVSJ-QFIPXVFZSA-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