General Information of the Compound
| Compound ID |
CP0443065
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-spiro[indene-1,4'-piperidine]-1'-yl-2-(trifluoromethylsulfonylamino)butanamide
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| Structure |
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| Formula |
C27H26F9N3O3S
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| Molecular Weight |
643.572
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)NS(=O)(=O)C(F)(F)F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F9N3O3S/c28-25(29,30)19-13-17(14-20(15-19)26(31,32)33)16-37-23(40)22(38-43(41,42)27(34,35)36)6-10-39-11-8-24(9-12-39)7-5-18-3-1-2-4-21(18)24/h1-5,7,13-15,22,38H,6,8-12,16H2,(H,37,40)
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| InChIKey |
PEGBWCNPSOYCQX-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