General Information of the Compound
| Compound ID |
CP0313147
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| Compound Name |
N-[7-[2-amino-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2,3-dihydro-1,4-benzodioxin-5-yl]propane-1-sulfonamide
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| Structure |
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| Formula |
C26H31N5O4S
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| Molecular Weight |
509.632
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(cc2OCCOc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C26H31N5O4S/c1-2-13-36(32,33)30-23-15-19(16-24-25(23)35-12-11-34-24)22-14-20(17-29-26(22)27)18-3-5-21(6-4-18)31-9-7-28-8-10-31/h3-6,14-17,28,30H,2,7-13H2,1H3,(H2,27,29)
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| InChIKey |
BBOLTJJZURFJLA-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