General Information of the Compound
| Compound ID |
CP0949830
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| Compound Name |
(R)-4-(5-(4-isopropoxy-3-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C21H23N3O4S
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| Molecular Weight |
413.499
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1S(C)(=O)=O
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| InChI |
InChI=1S/C21H23N3O4S/c1-12(2)27-18-10-7-13(11-19(18)29(3,25)26)21-23-20(24-28-21)16-6-4-5-15-14(16)8-9-17(15)22/h4-7,10-12,17H,8-9,22H2,1-3H3/t17-/m1/s1
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| InChIKey |
ZMHXPXDYCGNCIG-QGZVFWFLSA-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