General Information of the Compound
| Compound ID |
CP0247817
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(N-methylsulfonylanilino)benzamide
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| Structure |
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| Formula |
C32H33F2N3O5S
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| Molecular Weight |
609.695
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(c2ccccc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C32H33F2N3O5S/c1-42-29-13-6-8-22(16-29)20-35-21-31(38)30(17-23-14-25(33)19-26(34)15-23)36-32(39)24-9-7-12-28(18-24)37(43(2,40)41)27-10-4-3-5-11-27/h3-16,18-19,30-31,35,38H,17,20-21H2,1-2H3,(H,36,39)/t30-,31+/m0/s1
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| InChIKey |
BIJXPMYPYGZKDW-IOWSJCHKSA-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