General Information of the Compound
| Compound ID |
CP0284927
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| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C31H41F2N3O5
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| Molecular Weight |
573.681
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| Canonical SMILES |
CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O
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| InChI |
InChI=1S/C31H41F2N3O5/c1-2-6-28(38)24-11-12-36(31(24)41)27(10-9-19-7-4-3-5-8-19)30(40)35-26(29(39)25-17-23(37)18-34-25)15-20-13-21(32)16-22(33)14-20/h3-5,7-8,13-14,16,23-29,34,37-39H,2,6,9-12,15,17-18H2,1H3,(H,35,40)/t23-,24+,25+,26-,27-,28+,29+/m0/s1
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| InChIKey |
BJLXWUUPRPJDFP-WKKCFTSASA-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