General Information of the Compound
| Compound ID |
CP0291278
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| Compound Name |
(4R)-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-4-ethyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C31H40F2N4O4
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| Molecular Weight |
570.681
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| Canonical SMILES |
CCCCN1CC([C@@H](CC)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/C31H40F2N4O4/c1-3-5-12-36-19-25(24(4-2)30(36)40)29(39)35-26(16-21-14-22(32)17-23(33)15-21)28(38)27-31(41)37(13-11-34-27)18-20-9-7-6-8-10-20/h6-10,14-15,17,24-28,34,38H,3-5,11-13,16,18-19H2,1-2H3,(H,35,39)/t24-,25?,26+,27+,28+/m1/s1
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| InChIKey |
AOQDELDVXVGZSZ-GQTPQPSSSA-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