General Information of the Compound
| Compound ID |
CP0561115
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| Compound Name |
1-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
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| InChI |
InChI=1S/C21H28N4O2/c1-2-20(26)18-6-8-19(9-7-18)27-17-4-3-12-24-13-15-25(16-14-24)21-22-10-5-11-23-21/h5-11H,2-4,12-17H2,1H3
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| InChIKey |
GRORIHIUKBVNJW-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