General Information of the Compound
| Compound ID |
CP0443750
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| Compound Name |
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
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| Structure |
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| Formula |
C24H24ClN3O2S
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| Molecular Weight |
453.995
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| Canonical SMILES |
CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C24H24ClN3O2S/c1-26-12-14-27(15-13-26)16-19-8-4-10-22-24(19)21(25)17-28(22)31(29,30)23-11-5-7-18-6-2-3-9-20(18)23/h2-11,17H,12-16H2,1H3
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| InChIKey |
SMEPDBUGUBZRQN-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