General Information of the Compound
| Compound ID |
CP0466085
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| Compound Name |
8-acetyl-7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
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| Structure |
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| Formula |
C27H32N2O4
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| Molecular Weight |
448.563
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| Canonical SMILES |
CC(=O)c1c(OCCCN2CCN(CC2)c2cc(C)ccc2C)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C27H32N2O4/c1-18-6-7-19(2)23(16-18)29-13-11-28(12-14-29)10-5-15-32-24-9-8-22-20(3)17-25(31)33-27(22)26(24)21(4)30/h6-9,16-17H,5,10-15H2,1-4H3
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| InChIKey |
SGZIUEWNZBZNCJ-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