General Information of the Compound
Compound ID |
CP0416077
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Compound Name |
8-acetyl-7-[3-[4-(2-bromophenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
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Structure |
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Formula |
C25H27BrN2O4
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Molecular Weight |
499.405
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Canonical SMILES |
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2Br)ccc2c(C)cc(=O)oc12
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InChI |
InChI=1S/C25H27BrN2O4/c1-17-16-23(30)32-25-19(17)8-9-22(24(25)18(2)29)31-15-5-10-27-11-13-28(14-12-27)21-7-4-3-6-20(21)26/h3-4,6-9,16H,5,10-15H2,1-2H3
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InChIKey |
GCTKTFKNHOBZCQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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