General Information of the Compound
| Compound ID |
CP0501399
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| Compound Name |
4-[4-[3-(piperidin-1-ylmethyl)phenyl]but-3-ynyl]morpholine
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| Structure |
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
C(CN1CCOCC1)C#Cc1cccc(CN2CCCCC2)c1
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| InChI |
InChI=1S/C20H28N2O/c1-3-11-22(12-4-1)18-20-9-6-8-19(17-20)7-2-5-10-21-13-15-23-16-14-21/h6,8-9,17H,1,3-5,10-16,18H2
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| InChIKey |
LPWULBUSZPCIOO-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