General Information of the Compound
| Compound ID |
CP0534929
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| Compound Name |
N-[[5-[2-amino-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxyphenyl]methyl]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)NCc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C26H33N5O3S/c1-3-14-35(32,33)30-18-22-15-20(6-9-25(22)34-2)24-16-21(17-29-26(24)27)19-4-7-23(8-5-19)31-12-10-28-11-13-31/h4-9,15-17,28,30H,3,10-14,18H2,1-2H3,(H2,27,29)
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| InChIKey |
UPGITVUUJFWGDH-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