General Information of the Compound
| Compound ID |
CP0569573
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| Compound Name |
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
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| Structure |
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| Formula |
C22H27N3O3S
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| Molecular Weight |
413.543
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| Canonical SMILES |
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H27N3O3S/c1-17-4-7-20(8-5-17)29(26,27)25-16-18(15-24-12-10-23(2)11-13-24)21-14-19(28-3)6-9-22(21)25/h4-9,14,16H,10-13,15H2,1-3H3
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| InChIKey |
UCEZZZCAXZIWMA-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