General Information of the Compound
| Compound ID |
CP0386711
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| Compound Name |
8-acetyl-4-methyl-7-[4-(4-pyridin-4-ylpiperazin-1-yl)butoxy]chromen-2-one
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| Structure |
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccncc2)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C25H29N3O4/c1-18-17-23(30)32-25-21(18)5-6-22(24(25)19(2)29)31-16-4-3-11-27-12-14-28(15-13-27)20-7-9-26-10-8-20/h5-10,17H,3-4,11-16H2,1-2H3
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| InChIKey |
CLYJDBHPIZPMQM-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