General Information of the Compound
| Compound ID |
CP0461454
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| Compound Name |
N-[5-[(1R)-2-[[(1R)-1-[4-(difluoromethoxy)-3-methylphenyl]-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H28F2N2O5S
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| Molecular Weight |
506.571
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| Canonical SMILES |
Cc1cc(ccc1OC(F)F)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H28F2N2O5S/c1-16-12-18(9-11-24(16)34-25(26)27)20(13-17-6-4-3-5-7-17)28-15-23(31)19-8-10-22(30)21(14-19)29-35(2,32)33/h3-12,14,20,23,25,28-31H,13,15H2,1-2H3/t20-,23+/m1/s1
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| InChIKey |
XFXOEBPBGTXXDH-OFNKIYASSA-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