General Information of the Compound
| Compound ID |
CP0130047
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
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| Structure |
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| Formula |
C27H31F2N3O5S
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| Molecular Weight |
547.624
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C27H31F2N3O5S/c1-32(38(3,35)36)23-8-5-7-20(14-23)27(34)31-25(13-19-10-21(28)15-22(29)11-19)26(33)17-30-16-18-6-4-9-24(12-18)37-2/h4-12,14-15,25-26,30,33H,13,16-17H2,1-3H3,(H,31,34)/t25-,26+/m0/s1
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| InChIKey |
WMDLKMJFPVHZPM-IZZNHLLZSA-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