General Information of the Compound
| Compound ID |
CP0213101
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| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-(methoxymethyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C32H43F2N3O5
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| Molecular Weight |
587.708
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| Canonical SMILES |
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](COC)C1=O
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| InChI |
InChI=1S/C32H43F2N3O5/c1-3-13-42-26-18-27(35-19-26)30(38)28(16-22-14-24(33)17-25(34)15-22)36-31(39)29(10-9-21-7-5-4-6-8-21)37-12-11-23(20-41-2)32(37)40/h4-8,14-15,17,23,26-30,35,38H,3,9-13,16,18-20H2,1-2H3,(H,36,39)/t23-,26-,27-,28+,29+,30-/m1/s1
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| InChIKey |
XIOCYSCUCXBALF-CYARFFJQSA-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