General Information of the Compound
| Compound ID |
CP0339288
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| Compound Name |
8-(2,2-difluorocyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
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| Structure |
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| Formula |
C20H22F5N3O3
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| Molecular Weight |
447.404
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CC2(F)F)cc1
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| InChI |
InChI=1S/C20H22F5N3O3/c21-19(22)11-15(19)16(29)27-8-5-18(6-9-27)7-10-28(12-18)17(30)26-13-1-3-14(4-2-13)31-20(23,24)25/h1-4,15H,5-12H2,(H,26,30)
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| InChIKey |
AERCRGJRLDFMTN-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