General Information of the Compound
| Compound ID |
CP0560738
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| Compound Name |
1-[4-[4-(4-pyrazin-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)c2cnccn2)cc1
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| InChI |
InChI=1S/C21H28N4O2/c1-2-20(26)18-5-7-19(8-6-18)27-16-4-3-11-24-12-14-25(15-13-24)21-17-22-9-10-23-21/h5-10,17H,2-4,11-16H2,1H3
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| InChIKey |
HKJDUBAIDPYVDK-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