General Information of the Compound
| Compound ID |
CP0574462
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| Compound Name |
1-(4-fluorophenyl)sulfonyl-6-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
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| Structure |
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| Formula |
C21H24FN3O3S
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| Molecular Weight |
417.506
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| Canonical SMILES |
COc1ccc2c(CN3CCN(C)CC3)cn(c2c1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H24FN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-13-18(28-2)5-8-20(16)21)29(26,27)19-6-3-17(22)4-7-19/h3-8,13,15H,9-12,14H2,1-2H3
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| InChIKey |
VVGFFFBUTNUJEQ-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