General Information of the Compound
| Compound ID |
CP0396232
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| Compound Name |
[3-[2-[[(2R)-2-[3-(ethylsulfonylamino)phenyl]-2-hydroxyethyl]amino]ethyl]-1H-indol-7-yl] methanesulfonate
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| Structure |
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| Formula |
C21H27N3O6S2
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| Molecular Weight |
481.596
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| Canonical SMILES |
CCS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCc1c[nH]c2c(OS(C)(=O)=O)cccc12
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| InChI |
InChI=1S/C21H27N3O6S2/c1-3-32(28,29)24-17-7-4-6-15(12-17)19(25)14-22-11-10-16-13-23-21-18(16)8-5-9-20(21)30-31(2,26)27/h4-9,12-13,19,22-25H,3,10-11,14H2,1-2H3/t19-/m0/s1
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| InChIKey |
YWLVJSCNIGKBRT-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