General Information of the Compound
| Compound ID |
CP0540716
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| Compound Name |
1-(3-chlorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
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| Structure |
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| Formula |
C20H22ClN3O2S
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| Molecular Weight |
403.935
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| Canonical SMILES |
CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C20H22ClN3O2S/c1-22-9-11-23(12-10-22)14-16-15-24(20-8-3-2-7-19(16)20)27(25,26)18-6-4-5-17(21)13-18/h2-8,13,15H,9-12,14H2,1H3
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| InChIKey |
WUSQHTLKAFBGQF-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