General Information of the Compound
| Compound ID |
CP0141473
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| Compound Name |
2-[4-[(E)-2-(3-chloropyridin-2-yl)ethenyl]sulfonylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
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| Structure |
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| Formula |
C20H23Cl2N3O4S
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| Molecular Weight |
472.394
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| Canonical SMILES |
Cl.CN1CCN(CC1)C(=O)COc1ccc(cc1)S(=O)(=O)\C=C\c1ncccc1Cl
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| InChI |
InChI=1S/C20H22ClN3O4S.ClH/c1-23-10-12-24(13-11-23)20(25)15-28-16-4-6-17(7-5-16)29(26,27)14-8-19-18(21)3-2-9-22-19;/h2-9,14H,10-13,15H2,1H3;1H/b14-8+;
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| InChIKey |
DBNNTJYVUHIRFS-XHIXCECLSA-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