General Information of the Compound
| Compound ID |
CP0574463
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| Compound Name |
1-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(2,2,2-trifluoroethoxy)indole
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| Structure |
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| Formula |
C22H23BrF3N3O3S
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| Molecular Weight |
546.409
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| Canonical SMILES |
CN1CCN(Cc2cn(c3ccc(OCC(F)(F)F)cc23)S(=O)(=O)c2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C22H23BrF3N3O3S/c1-27-8-10-28(11-9-27)13-16-14-29(33(30,31)19-5-2-17(23)3-6-19)21-7-4-18(12-20(16)21)32-15-22(24,25)26/h2-7,12,14H,8-11,13,15H2,1H3
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| InChIKey |
DFEVLZQWMZMXLN-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