General Information of the Compound
| Compound ID |
CP0537747
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| Compound Name |
(E)-1-[(2S,5S)-4-acetyl-2,5-dibenzylpiperazin-1-yl]-3-phenylprop-2-en-1-one
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| Structure |
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| Formula |
C29H30N2O2
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| Molecular Weight |
438.571
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| Canonical SMILES |
CC(=O)N1C[C@H](Cc2ccccc2)N(C[C@@H]1Cc1ccccc1)C(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C29H30N2O2/c1-23(32)30-21-28(20-26-15-9-4-10-16-26)31(22-27(30)19-25-13-7-3-8-14-25)29(33)18-17-24-11-5-2-6-12-24/h2-18,27-28H,19-22H2,1H3/b18-17+/t27-,28-/m0/s1
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| InChIKey |
PNMSMSANEQJFBF-VCMDODSVSA-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