General Information of the Compound
| Compound ID |
CP0145709
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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)-2-oxo-3-propan-2-ylpyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C33H45F2N3O4
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| Molecular Weight |
585.736
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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](C(C)C)C1=O
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| InChI |
InChI=1S/C33H45F2N3O4/c1-4-14-42-26-19-28(36-20-26)31(39)29(17-23-15-24(34)18-25(35)16-23)37-32(40)30(11-10-22-8-6-5-7-9-22)38-13-12-27(21(2)3)33(38)41/h5-9,15-16,18,21,26-31,36,39H,4,10-14,17,19-20H2,1-3H3,(H,37,40)/t26-,27-,28-,29+,30+,31-/m1/s1
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| InChIKey |
VWOLQCVVABTFAB-FNBYOJNGSA-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