General Information of the Compound
| Compound ID |
CP0274908
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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-[(2R,4R)-4-[(4-fluorophenyl)methoxy]pyrrolidin-2-yl]-1-hydroxypropan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C40H49F3N4O5
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| Molecular Weight |
722.849
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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)OCc2ccc(F)cc2)C1=O)NC(C)=O
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| InChI |
InChI=1S/C40H49F3N4O5/c1-4-25(2)40(46-26(3)48)16-17-47(39(40)51)36(15-12-27-8-6-5-7-9-27)38(50)45-35(20-29-18-31(42)21-32(43)19-29)37(49)34-22-33(23-44-34)52-24-28-10-13-30(41)14-11-28/h5-11,13-14,18-19,21,25,33-37,44,49H,4,12,15-17,20,22-24H2,1-3H3,(H,45,50)(H,46,48)/t25?,33-,34-,35+,36+,37-,40+/m1/s1
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| InChIKey |
PYFPQNUDNPPKCN-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