General Information of the Compound
| Compound ID |
CP0577511
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| Compound Name |
1-[(2S,5S)-4-benzoyl-2-benzyl-5-[(7-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C28H28N2O5
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| Molecular Weight |
472.541
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| Canonical SMILES |
CC(=O)N1C[C@H](Cc2cc3OCOc3c(O)c2)N(C[C@@H]1Cc1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H28N2O5/c1-19(31)29-16-24(13-21-14-25(32)27-26(15-21)34-18-35-27)30(28(33)22-10-6-3-7-11-22)17-23(29)12-20-8-4-2-5-9-20/h2-11,14-15,23-24,32H,12-13,16-18H2,1H3/t23-,24-/m0/s1
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| InChIKey |
JDHFJTGFKAYMMX-ZEQRLZLVSA-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