General Information of the Compound
| Compound ID |
CP0489018
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| Compound Name |
8-acetyl-4-methyl-7-[4-(4-pyrazin-2-ylpiperazin-1-yl)butoxy]chromen-2-one
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
CC(=O)c1c(OCCCCN2CCN(CC2)c2cnccn2)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C24H28N4O4/c1-17-15-22(30)32-24-19(17)5-6-20(23(24)18(2)29)31-14-4-3-9-27-10-12-28(13-11-27)21-16-25-7-8-26-21/h5-8,15-16H,3-4,9-14H2,1-2H3
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| InChIKey |
DPUIIQSELQWYOD-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A