General Information of the Compound
| Compound ID |
CP0489016
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| Compound Name |
8-acetyl-4-methyl-7-[4-[4-(4-nitrophenyl)piperazin-1-yl]butoxy]chromen-2-one
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| Structure |
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| Formula |
C26H29N3O6
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| Molecular Weight |
479.533
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| Canonical SMILES |
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C26H29N3O6/c1-18-17-24(31)35-26-22(18)9-10-23(25(26)19(2)30)34-16-4-3-11-27-12-14-28(15-13-27)20-5-7-21(8-6-20)29(32)33/h5-10,17H,3-4,11-16H2,1-2H3
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| InChIKey |
JUKJVSZUOYFQIL-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