General Information of the Compound
| Compound ID |
CP0496882
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| Compound Name |
2,2,2-Trifluoro-ethanesulfonic acid (3-{(R)-1-hydroxy-2-[2-(7-methanesulfonyl-1H-indol-3-yl)-ethylamino]-ethyl}-phenyl)-amide
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| Structure |
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| Formula |
C21H24F3N3O5S2
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| Molecular Weight |
519.567
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| Canonical SMILES |
CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)CC(F)(F)F)c3)c[nH]c12
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| InChI |
InChI=1S/C21H24F3N3O5S2/c1-33(29,30)19-7-3-6-17-15(11-26-20(17)19)8-9-25-12-18(28)14-4-2-5-16(10-14)27-34(31,32)13-21(22,23)24/h2-7,10-11,18,25-28H,8-9,12-13H2,1H3/t18-/m0/s1
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| InChIKey |
YKDNWJYCZMTUOT-SFHVURJKSA-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