General Information of the Compound
| Compound ID |
CP0575290
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| Compound Name |
(3Z)-1-acetyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]piperazine-2,5-dione
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
CC(=O)N1CC(=O)N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C1=O
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| InChI |
InChI=1S/C21H27N3O4/c1-16(25)24-15-20(26)22-19(21(24)27)14-17-6-8-18(9-7-17)28-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,22,26)/b19-14-
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| InChIKey |
GSGWSENZBWLTMH-RGEXLXHISA-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