General Information of the Compound
| Compound ID |
CP0911387
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| Compound Name |
5-Chloro-naphthalene-2-sulfonic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
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| Structure |
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| Formula |
C22H24ClN3O3S
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| Molecular Weight |
445.972
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1N1CCN(C)CC1
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| InChI |
InChI=1S/C22H24ClN3O3S/c1-25-10-12-26(13-11-25)21-15-17(6-9-22(21)29-2)24-30(27,28)18-7-8-19-16(14-18)4-3-5-20(19)23/h3-9,14-15,24H,10-13H2,1-2H3
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| InChIKey |
IZNFRDRWOOSYSH-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