General Information of the Compound
| Compound ID |
CP0401705
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| Compound Name |
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[2-phenyl-1-(4-phenylmethoxyphenyl)ethyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C30H32N2O5S
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| Molecular Weight |
532.662
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C30H32N2O5S/c1-38(35,36)32-28-19-25(14-17-29(28)33)30(34)20-31-27(18-22-8-4-2-5-9-22)24-12-15-26(16-13-24)37-21-23-10-6-3-7-11-23/h2-17,19,27,30-34H,18,20-21H2,1H3/t27?,30-/m0/s1
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| InChIKey |
SBNLECBRYJGBMG-MILIPEGGSA-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