General Information of the Compound
| Compound ID |
CP0142352
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| Compound Name |
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C26H33N5O3S
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| Molecular Weight |
495.649
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C26H33N5O3S/c1-4-13-35(32,33)30-24-16-20(14-18(2)25(24)34-3)23-15-21(17-29-26(23)27)19-5-7-22(8-6-19)31-11-9-28-10-12-31/h5-8,14-17,28,30H,4,9-13H2,1-3H3,(H2,27,29)
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| InChIKey |
XAVIPIHNPPAYAJ-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