General Information of the Compound
| Compound ID |
CP0569572
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| Compound Name |
5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylindole
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| Structure |
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| Formula |
C22H24F3N3O4S
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| Molecular Weight |
483.512
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| Canonical SMILES |
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3N3O4S/c1-26-9-11-27(12-10-26)14-16-15-28(21-8-5-18(31-2)13-20(16)21)33(29,30)19-6-3-17(4-7-19)32-22(23,24)25/h3-8,13,15H,9-12,14H2,1-2H3
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| InChIKey |
FZUXYTUGTOXPCU-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