General Information of the Compound
| Compound ID |
CP0444423
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| Compound Name |
propan-2-yl 2-[3-(3-fluoro-4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C22H32FNO5S
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| Molecular Weight |
441.565
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C22H32FNO5S/c1-16(2)29-21(25)24-10-8-22(9-11-24)14-17(15-22)5-4-12-28-18-6-7-20(19(23)13-18)30(3,26)27/h6-7,13,16-17H,4-5,8-12,14-15H2,1-3H3
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| InChIKey |
FOXMOSCAVMWYEE-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