General Information of the Compound
| Compound ID |
CP0386708
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| Compound Name |
2-[4-[3-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxypropyl]piperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2C#N)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C26H27N3O4/c1-18-16-24(31)33-26-21(18)8-9-23(25(26)19(2)30)32-15-5-10-28-11-13-29(14-12-28)22-7-4-3-6-20(22)17-27/h3-4,6-9,16H,5,10-15H2,1-2H3
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| InChIKey |
IMCNAHRRERQKSG-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