General Information of the Compound
| Compound ID |
CP0926471
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| Compound Name |
(4-(methylsulfonyl)-2-(trifluoromethyl)phenyl)(8-(3-(trifluoromethyl)phenylsulfonyl)-2,8-diazaspiro[4.5]decan-2-yl)methanone
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| Structure |
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| Formula |
C24H24F6N2O5S2
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| Molecular Weight |
598.587
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(=O)N2CCC3(CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C24H24F6N2O5S2/c1-38(34,35)17-5-6-19(20(14-17)24(28,29)30)21(33)31-10-7-22(15-31)8-11-32(12-9-22)39(36,37)18-4-2-3-16(13-18)23(25,26)27/h2-6,13-14H,7-12,15H2,1H3
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| InChIKey |
ILVKCKMIHRARPE-UHFFFAOYSA-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