General Information of the Compound
| Compound ID |
CP0453343
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| Compound Name |
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H25F3N2O5S
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| Molecular Weight |
510.534
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C24H25F3N2O5S/c1-35(32,33)29-21-14-18(9-12-22(21)30)23(31)15-28-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)34-24(25,26)27/h2-12,14,20,23,28-31H,13,15H2,1H3/t20?,23-/m0/s1
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| InChIKey |
LTTRPGNJRAQBTP-AKRCKQFNSA-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