General Information of the Compound
| Compound ID |
CP0574976
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| Compound Name |
2,2-dimethylpropyl 2-[3-(3-fluoro-4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H36FNO5S
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| Molecular Weight |
469.619
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| Canonical SMILES |
CC(C)(C)COC(=O)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C24H36FNO5S/c1-23(2,3)17-31-22(27)26-11-9-24(10-12-26)15-18(16-24)6-5-13-30-19-7-8-21(20(25)14-19)32(4,28)29/h7-8,14,18H,5-6,9-13,15-17H2,1-4H3
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| InChIKey |
ZDXCIHITIBGMPF-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