General Information of the Compound
| Compound ID |
CP0145084
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| Compound Name |
(6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-1'-yl)(4-(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C22H22F3NO4S
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| Molecular Weight |
453.482
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| Canonical SMILES |
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)CCc2c1
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| InChI |
InChI=1S/C22H22F3NO4S/c1-31(28,29)18-6-7-19-16(14-18)8-9-21(30-19)10-12-26(13-11-21)20(27)15-2-4-17(5-3-15)22(23,24)25/h2-7,14H,8-13H2,1H3
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| InChIKey |
TXDIMDCQMFKIQP-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