General Information of the Compound
| Compound ID |
CP0943517
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| Compound Name |
(4-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)phenyl)(2-oxa-6-azaspiro[3.4]octan-6-yl)methanone
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| Structure |
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| Formula |
C21H19ClF3NO3
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| Molecular Weight |
425.834
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| Canonical SMILES |
O=C(c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1)N1CCC2(COC2)C1
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| InChI |
InChI=1S/C21H19ClF3NO3/c22-17-9-16(21(23,24)25)5-6-18(17)29-10-14-1-3-15(4-2-14)19(27)26-8-7-20(11-26)12-28-13-20/h1-6,9H,7-8,10-13H2
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| InChIKey |
KLQGHOVYAYEFMV-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