General Information of the Compound
| Compound ID |
CP0553062
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| Compound Name |
N-[3-[(1R)-2-[[(1R)-1-[4-(difluoromethoxy)phenyl]-2-phenylethyl]amino]-1-hydroxyethyl]-2-fluoro-6-hydroxyphenyl]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)Nc1c(O)ccc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1F
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| InChI |
InChI=1S/C24H25F3N2O5S/c1-35(32,33)29-23-20(30)12-11-18(22(23)25)21(31)14-28-19(13-15-5-3-2-4-6-15)16-7-9-17(10-8-16)34-24(26)27/h2-12,19,21,24,28-31H,13-14H2,1H3/t19-,21+/m1/s1
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| InChIKey |
MZJVFYBQIVBRLG-CTNGQTDRSA-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