General Information of the Compound
| Compound ID |
CP0093551
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| Compound Name |
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C41H49F5N4O5
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| Molecular Weight |
772.856
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| Canonical SMILES |
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C(F)(F)F)C1=O)NC(C)=O
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| InChI |
InChI=1S/C41H49F5N4O5/c1-4-25(2)40(49-26(3)51)15-16-50(39(40)54)36(14-13-27-9-6-5-7-10-27)38(53)48-35(20-29-18-31(42)21-32(43)19-29)37(52)34-22-33(23-47-34)55-24-28-11-8-12-30(17-28)41(44,45)46/h5-12,17-19,21,25,33-37,47,52H,4,13-16,20,22-24H2,1-3H3,(H,48,53)(H,49,51)/t25?,33-,34-,35+,36+,37-,40+/m1/s1
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| InChIKey |
FAJUKEHUTZFPSJ-OGBHQHSVSA-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