General Information of the Compound
| Compound ID |
CP0399362
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| Compound Name |
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C36H44F2N4O4
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| Molecular Weight |
634.768
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| Canonical SMILES |
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O
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| InChI |
InChI=1S/C36H44F2N4O4/c1-2-3-11-26-15-17-42(36(26)45)32(14-13-24-9-5-4-6-10-24)35(44)41-31(20-25-18-27(37)21-28(38)19-25)34(43)30-22-29(23-40-30)46-33-12-7-8-16-39-33/h4-10,12,16,18-19,21,26,29-32,34,40,43H,2-3,11,13-15,17,20,22-23H2,1H3,(H,41,44)/t26-,29+,30+,31-,32-,34+/m0/s1
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| InChIKey |
FZIQKNHVTXYMDZ-JCLCBAPDSA-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