General Information of the Compound
| Compound ID |
CP0273892
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| Compound Name |
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-1-[(2R,4R)-4-[(3-cyanophenyl)methoxy]pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C41H49F2N5O5
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| Molecular Weight |
729.869
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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#N)C1=O)NC(C)=O
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| InChI |
InChI=1S/C41H49F2N5O5/c1-4-26(2)41(47-27(3)49)15-16-48(40(41)52)37(14-13-28-9-6-5-7-10-28)39(51)46-36(20-31-18-32(42)21-33(43)19-31)38(50)35-22-34(24-45-35)53-25-30-12-8-11-29(17-30)23-44/h5-12,17-19,21,26,34-38,45,50H,4,13-16,20,22,24-25H2,1-3H3,(H,46,51)(H,47,49)/t26?,34-,35-,36+,37+,38-,41+/m1/s1
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| InChIKey |
WHJDHEFEUPUHMG-JRNHVIPRSA-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