General Information of the Compound
| Compound ID |
CP0469670
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| Compound Name |
propan-2-yl 2-[3-[4-(cyclopropylcarbamoyl)-3-fluorophenoxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C25H35FN2O4
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| Molecular Weight |
446.563
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)NC4CC4)c(F)c3)C2)CC1
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| InChI |
InChI=1S/C25H35FN2O4/c1-17(2)32-24(30)28-11-9-25(10-12-28)15-18(16-25)4-3-13-31-20-7-8-21(22(26)14-20)23(29)27-19-5-6-19/h7-8,14,17-19H,3-6,9-13,15-16H2,1-2H3,(H,27,29)
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| InChIKey |
JDVCEFGFSHMXRU-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