General Information of the Compound
| Compound ID |
CP0352386
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| Compound Name |
1-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C32H34F2N4O4
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| Molecular Weight |
576.644
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| Canonical SMILES |
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1
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| InChIKey |
UHJGJWDAUJTJOC-WGLJOPIWSA-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