General Information of the Compound
| Compound ID |
CP0386713
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| Compound Name |
8-acetyl-4-methyl-7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]chromen-2-one
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| Structure |
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| Formula |
C25H27N3O6
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| Molecular Weight |
465.506
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| Canonical SMILES |
CC(=O)c1c(OCCCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C25H27N3O6/c1-17-16-23(30)34-25-21(17)8-9-22(24(25)18(2)29)33-15-3-10-26-11-13-27(14-12-26)19-4-6-20(7-5-19)28(31)32/h4-9,16H,3,10-15H2,1-2H3
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| InChIKey |
JLBJRGXLGBBLLO-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