General Information of the Compound
| Compound ID |
CP0528978
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| Compound Name |
N-[5-[(1R)-2-[[(1R)-1-(4-cyanophenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H25N3O4S
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| Molecular Weight |
451.548
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H25N3O4S/c1-32(30,31)27-22-14-20(11-12-23(22)28)24(29)16-26-21(13-17-5-3-2-4-6-17)19-9-7-18(15-25)8-10-19/h2-12,14,21,24,26-29H,13,16H2,1H3/t21-,24+/m1/s1
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| InChIKey |
HFITYLFCKGJHCX-QPPBQGQZSA-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