General Information of the Compound
| Compound ID |
CP0568795
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| Compound Name |
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-2,5-dione
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| Structure |
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| Formula |
C19H27N3O3
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| Molecular Weight |
345.443
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| Canonical SMILES |
O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)CN1
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| InChI |
InChI=1S/C19H27N3O3/c23-18-15-22(19(24)13-20-18)14-16-5-7-17(8-6-16)25-12-4-11-21-9-2-1-3-10-21/h5-8H,1-4,9-15H2,(H,20,23)
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| InChIKey |
LDRSNHNNGTWEET-UHFFFAOYSA-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