General Information of the Compound
| Compound ID |
CP0387127
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| Compound Name |
7-(5-ethylpyrimidin-2-yl)-2-[3-(3-fluoro-4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonane
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| Structure |
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| Formula |
C24H32FN3O3S
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| Molecular Weight |
461.603
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C24H32FN3O3S/c1-3-18-16-26-23(27-17-18)28-10-8-24(9-11-28)14-19(15-24)5-4-12-31-20-6-7-22(21(25)13-20)32(2,29)30/h6-7,13,16-17,19H,3-5,8-12,14-15H2,1-2H3
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| InChIKey |
KGROLPWUUBKSIG-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