General Information of the Compound
| Compound ID |
CP0457174
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| Compound Name |
8-acetyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-methylchromen-2-one
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| Structure |
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| Formula |
C27H32N2O5
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| Molecular Weight |
464.562
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1
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| InChI |
InChI=1S/C27H32N2O5/c1-19-18-25(31)34-27-21(19)10-11-24(26(27)20(2)30)33-17-7-6-12-28-13-15-29(16-14-28)22-8-4-5-9-23(22)32-3/h4-5,8-11,18H,6-7,12-17H2,1-3H3
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| InChIKey |
ALQGLJXKAZSVKC-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