General Information of the Compound
| Compound ID |
CP0136272
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| Compound Name |
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methylphenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C25H31N5O2S
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| Molecular Weight |
465.623
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C25H31N5O2S/c1-3-14-33(31,32)29-24-16-20(5-4-18(24)2)23-15-21(17-28-25(23)26)19-6-8-22(9-7-19)30-12-10-27-11-13-30/h4-9,15-17,27,29H,3,10-14H2,1-2H3,(H2,26,28)
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| InChIKey |
LQADZIKNLVGYRS-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