General Information of the Compound
| Compound ID |
CP0220652
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| Compound Name |
(2S)-2-[(3S)-3-butyl-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 |
C36H45F2N3O4
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| Molecular Weight |
621.769
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| Canonical SMILES |
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O
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| InChI |
InChI=1S/C36H45F2N3O4/c1-3-4-12-28-16-17-41(36(28)44)33(15-14-25-9-6-5-7-10-25)35(43)40-32(21-27-18-29(37)22-30(38)19-27)34(42)24-39-23-26-11-8-13-31(20-26)45-2/h5-11,13,18-20,22,28,32-34,39,42H,3-4,12,14-17,21,23-24H2,1-2H3,(H,40,43)/t28-,32-,33-,34+/m0/s1
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| InChIKey |
RZGMTOUZICFOSQ-JWDVHEBFSA-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