General Information of the Compound
| Compound ID |
CP0944393
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| Compound Name |
(4-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)phenyl)(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
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| Structure |
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| Formula |
C20H17ClF3NO3
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| Molecular Weight |
411.807
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| Canonical SMILES |
O=C(c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1)N1CC2(COC2)C1
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| InChI |
InChI=1S/C20H17ClF3NO3/c21-16-7-15(20(22,23)24)5-6-17(16)28-8-13-1-3-14(4-2-13)18(26)25-9-19(10-25)11-27-12-19/h1-7H,8-12H2
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| InChIKey |
MPUWWZVKDOZSKH-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