General Information of the Compound
| Compound ID |
CP0293733
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| Compound Name |
(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C36H45F2N3O5
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| Molecular Weight |
637.768
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| Canonical SMILES |
CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O
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| InChI |
InChI=1S/C36H45F2N3O5/c1-3-8-33(42)30-15-16-41(36(30)45)32(14-13-24-9-5-4-6-10-24)35(44)40-31(20-26-17-27(37)21-28(38)18-26)34(43)23-39-22-25-11-7-12-29(19-25)46-2/h4-7,9-12,17-19,21,30-34,39,42-43H,3,8,13-16,20,22-23H2,1-2H3,(H,40,44)/t30-,31+,32+,33-,34-/m1/s1
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| InChIKey |
ZRBJRIFNTXBCRI-BWNLSPMZSA-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