General Information of the Compound
| Compound ID |
CP0509682
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| Compound Name |
(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol
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| Structure |
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| Formula |
C19H26ClN3O3S
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| Molecular Weight |
411.955
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| Canonical SMILES |
CN(C)S(=O)(=O)N(C)c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C19H26ClN3O3S/c1-22(2)27(25,26)23(3)18-9-7-15(8-10-18)11-12-21-14-19(24)16-5-4-6-17(20)13-16/h4-10,13,19,21,24H,11-12,14H2,1-3H3/t19-/m0/s1
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| InChIKey |
AULBTWGSEOLSAY-IBGZPJMESA-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