General Information of the Compound
| Compound ID |
CP0145711
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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-(pyridin-3-ylmethoxy)pyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C39H49F2N5O5
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| Molecular Weight |
705.847
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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)OCc2cccnc2)C1=O)NC(C)=O
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| InChI |
InChI=1S/C39H49F2N5O5/c1-4-25(2)39(45-26(3)47)14-16-46(38(39)50)35(13-12-27-9-6-5-7-10-27)37(49)44-34(19-29-17-30(40)20-31(41)18-29)36(48)33-21-32(23-43-33)51-24-28-11-8-15-42-22-28/h5-11,15,17-18,20,22,25,32-36,43,48H,4,12-14,16,19,21,23-24H2,1-3H3,(H,44,49)(H,45,47)/t25?,32-,33-,34+,35+,36-,39+/m1/s1
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| InChIKey |
DBYZUQAQFHNTAT-BGUFJGJISA-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