General Information of the Compound
| Compound ID |
CP0571944
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| Compound Name |
1-[(2S,5S)-4-benzoyl-2,5-dibenzylpiperazin-1-yl]ethanone
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| Structure |
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| Formula |
C27H28N2O2
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| Molecular Weight |
412.533
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| Canonical SMILES |
CC(=O)N1C[C@H](Cc2ccccc2)N(C[C@@H]1Cc1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H28N2O2/c1-21(30)28-19-26(18-23-13-7-3-8-14-23)29(27(31)24-15-9-4-10-16-24)20-25(28)17-22-11-5-2-6-12-22/h2-16,25-26H,17-20H2,1H3/t25-,26-/m0/s1
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| InChIKey |
LJBYDUQRBHJYHU-UIOOFZCWSA-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