General Information of the Compound
| Compound ID |
CP0213102
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| Compound Name |
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C31H41F2N3O4
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| Molecular Weight |
557.682
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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)[C@H]2C[C@H](O)CN2)C1=O
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| InChI |
InChI=1S/C31H41F2N3O4/c1-2-3-9-22-12-13-36(31(22)40)28(11-10-20-7-5-4-6-8-20)30(39)35-27(29(38)26-18-25(37)19-34-26)16-21-14-23(32)17-24(33)15-21/h4-8,14-15,17,22,25-29,34,37-38H,2-3,9-13,16,18-19H2,1H3,(H,35,39)/t22-,25-,26+,27-,28-,29+/m0/s1
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| InChIKey |
JZIFFYJEFQCCJY-GHNNSOBRSA-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