General Information of the Compound
| Compound ID |
CP0265845
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| Compound Name |
N-[(1S,2S)-1-[(2S)-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 |
C29H36F2N4O4
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| Molecular Weight |
542.627
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| Canonical SMILES |
CCCCN1CC(CC1=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/C29H36F2N4O4/c1-2-3-10-34-18-21(15-25(34)36)28(38)33-24(14-20-12-22(30)16-23(31)13-20)27(37)26-29(39)35(11-9-32-26)17-19-7-5-4-6-8-19/h4-8,12-13,16,21,24,26-27,32,37H,2-3,9-11,14-15,17-18H2,1H3,(H,33,38)/t21?,24-,26-,27-/m0/s1
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| InChIKey |
TYJONTNQQYNQAI-RUZOEWKHSA-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