General Information of the Compound
| Compound ID |
CP0578293
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| Compound Name |
(3Z)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]piperazine-2,5-dione
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| Structure |
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| Formula |
C19H25N3O3
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| Molecular Weight |
343.427
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| Canonical SMILES |
O=C1CNC(=O)\C(N1)=C\c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C19H25N3O3/c23-18-14-20-19(24)17(21-18)13-15-5-7-16(8-6-15)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12,14H2,(H,20,24)(H,21,23)/b17-13-
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| InChIKey |
GHNDCSISQGBEMS-LGMDPLHJSA-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