General Information of the Compound
| Compound ID |
CP0372521
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| Compound Name |
(4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-phenyl)-carbamic acid hexyl ester
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| Structure |
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| Formula |
C28H36N4O5S
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| Molecular Weight |
540.686
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| Canonical SMILES |
CCCCCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C28H36N4O5S/c1-2-3-4-5-19-37-28(34)31-24-12-14-26(15-13-24)38(35,36)32-25-10-8-22(9-11-25)16-18-30-21-27(33)23-7-6-17-29-20-23/h6-15,17,20,27,30,32-33H,2-5,16,18-19,21H2,1H3,(H,31,34)/t27-/m0/s1
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| InChIKey |
AQJAFHZELYBXMJ-MHZLTWQESA-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