General Information of the Compound
| Compound ID |
CP0220651
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| Compound Name |
(2S)-2-[(3R)-3-acetamido-3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C38H46F2N4O5
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| Molecular Weight |
676.805
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1
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| InChI |
InChI=1S/C38H46F2N4O5/c1-25(45)43-38(22-27-11-12-27)15-16-44(37(38)48)34(14-13-26-7-4-3-5-8-26)36(47)42-33(20-29-17-30(39)21-31(40)18-29)35(46)24-41-23-28-9-6-10-32(19-28)49-2/h3-10,17-19,21,27,33-35,41,46H,11-16,20,22-24H2,1-2H3,(H,42,47)(H,43,45)/t33-,34-,35+,38-/m0/s1
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| InChIKey |
FLLNPTJXMMMUIQ-FMOZQJFPSA-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