General Information of the Compound
| Compound ID |
CP0533321
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| Compound Name |
(4R)-4-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C36H42F2N4O4
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| Molecular Weight |
632.752
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| Canonical SMILES |
CCCCN1CC([C@@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C36H42F2N4O4/c1-2-3-15-41-23-30(29(35(41)45)19-24-10-6-4-7-11-24)34(44)40-31(20-26-17-27(37)21-28(38)18-26)33(43)32-36(46)42(16-14-39-32)22-25-12-8-5-9-13-25/h4-13,17-18,21,29-33,39,43H,2-3,14-16,19-20,22-23H2,1H3,(H,40,44)/t29-,30?,31+,32+,33+/m1/s1
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| InChIKey |
GSCMPCDIQRJBIW-ARNVELDISA-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