General Information of the Compound
| Compound ID |
CP0220656
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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]propanamide
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| Structure |
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| Formula |
C29H39F2N3O5
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| Molecular Weight |
547.643
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| Canonical SMILES |
CCC[C@@H](O)[C@H]1CCN([C@@H](C)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/C29H39F2N3O5/c1-4-6-26(35)24-9-10-34(29(24)38)18(2)28(37)33-25(14-20-11-21(30)15-22(31)12-20)27(36)17-32-16-19-7-5-8-23(13-19)39-3/h5,7-8,11-13,15,18,24-27,32,35-36H,4,6,9-10,14,16-17H2,1-3H3,(H,33,37)/t18-,24+,25-,26+,27+/m0/s1
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| InChIKey |
YCOXCOQIJGLYOQ-VDZGFAOQSA-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