General Information of the Compound
| Compound ID |
CP0520930
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| Compound Name |
8-acetyl-4-methyl-7-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
CC(=O)c1c(OCCCN2CCN(CC2)c2cnccn2)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C23H26N4O4/c1-16-14-21(29)31-23-18(16)4-5-19(22(23)17(2)28)30-13-3-8-26-9-11-27(12-10-26)20-15-24-6-7-25-20/h4-7,14-15H,3,8-13H2,1-2H3
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| InChIKey |
VYUMNHGVAGECKU-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