General Information of the Compound
| Compound ID |
CP0479257
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| Compound Name |
1-(3-trifluoromethyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C22H24F3N3O2S
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| Molecular Weight |
451.514
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| Canonical SMILES |
CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H24F3N3O2S/c1-2-26-10-12-27(13-11-26)16-17-6-7-21-18(14-17)8-9-28(21)31(29,30)20-5-3-4-19(15-20)22(23,24)25/h3-9,14-15H,2,10-13,16H2,1H3
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| InChIKey |
GZJJDWANDMGTPQ-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