General Information of the Compound
| Compound ID |
CP0169350
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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-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C34H47F2N3O5
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| Molecular Weight |
615.762
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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@H](O)CCC)C1=O
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| InChI |
InChI=1S/C34H47F2N3O5/c1-3-8-31(40)27-13-14-39(34(27)43)30(12-11-22-9-6-5-7-10-22)33(42)38-29(18-23-16-24(35)19-25(36)17-23)32(41)28-20-26(21-37-28)44-15-4-2/h5-7,9-10,16-17,19,26-32,37,40-41H,3-4,8,11-15,18,20-21H2,1-2H3,(H,38,42)/t26-,27-,28-,29+,30+,31-,32-/m1/s1
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| InChIKey |
XXIRTBPDSKEUAH-BOSRKNLLSA-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