General Information of the Compound
| Compound ID |
CP0852533
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| Compound Name |
2-(4-(3-(4,7-dimethyl-2-oxo-2H-chromen-5-yloxy)propyl)piperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
Cc1cc(OCCCN2CCN(c3ccccc3C#N)CC2)c2c(C)cc(=O)oc2c1
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| InChI |
InChI=1S/C25H27N3O3/c1-18-14-22(25-19(2)16-24(29)31-23(25)15-18)30-13-5-8-27-9-11-28(12-10-27)21-7-4-3-6-20(21)17-26/h3-4,6-7,14-16H,5,8-13H2,1-2H3
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| InChIKey |
SVNQMUPMINPMGG-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