General Information of the Compound
| Compound ID |
CP0335073
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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-(8-propoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C41H52F2N4O5
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| Molecular Weight |
718.886
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| Canonical SMILES |
CCCOc1cccc2CC(NCc12)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O
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| InChI |
InChI=1S/C41H52F2N4O5/c1-5-19-52-37-14-10-13-30-23-34(44-25-33(30)37)38(49)35(22-29-20-31(42)24-32(43)21-29)45-39(50)36(16-15-28-11-8-7-9-12-28)47-18-17-41(40(47)51,26(3)6-2)46-27(4)48/h7-14,20-21,24,26,34-36,38,44,49H,5-6,15-19,22-23,25H2,1-4H3,(H,45,50)(H,46,48)/t26?,34?,35-,36-,38+,41-/m0/s1
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| InChIKey |
UNHYCLXMUBLSOA-KHNBBTAHSA-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