General Information of the Compound
| Compound ID |
CP0961679
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| Compound Name |
(5-fluoro-2-(methylsulfonyl)phenyl)(8-(3-(trifluoromethyl)phenylsulfonyl)-2,8-diazaspiro[4.5]decan-2-yl)methanone
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| Structure |
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| Formula |
C23H24F4N2O5S2
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| Molecular Weight |
548.58
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| Canonical SMILES |
CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1
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| InChI |
InChI=1S/C23H24F4N2O5S2/c1-35(31,32)20-6-5-17(24)14-19(20)21(30)28-10-7-22(15-28)8-11-29(12-9-22)36(33,34)18-4-2-3-16(13-18)23(25,26)27/h2-6,13-14H,7-12,15H2,1H3
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| InChIKey |
KTMIHRRLURNTRX-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