General Information of the Compound
| Compound ID |
CP0136353
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| Compound Name |
N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H28N4O3S
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| Molecular Weight |
452.58
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C24H28N4O3S/c1-17-24(19-12-21(27-32(3,29)30)15-23(13-19)31-2)14-20(16-26-17)18-4-6-22(7-5-18)28-10-8-25-9-11-28/h4-7,12-16,25,27H,8-11H2,1-3H3
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| InChIKey |
ZBGCUGHOUSPKBA-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