General Information of the Compound
| Compound ID |
CP0566560
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| Compound Name |
3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
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| Structure |
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| Formula |
C22H26FN3O3S
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| Molecular Weight |
431.533
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| Canonical SMILES |
CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H26FN3O3S/c1-3-24-10-12-25(13-11-24)15-17-16-26(22-9-6-19(29-2)14-21(17)22)30(27,28)20-7-4-18(23)5-8-20/h4-9,14,16H,3,10-13,15H2,1-2H3
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| InChIKey |
IUHLPKFOTNBELV-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