General Information of the Compound
| Compound ID |
CP0891123
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| Compound Name |
4,7-dimethyl-5-(3-(4-(pyridin-4-yl)piperazin-1-yl)propoxy)-2H-chromen-2-one
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
Cc1cc(OCCCN2CCN(c3ccncc3)CC2)c2c(C)cc(=O)oc2c1
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| InChI |
InChI=1S/C23H27N3O3/c1-17-14-20(23-18(2)16-22(27)29-21(23)15-17)28-13-3-8-25-9-11-26(12-10-25)19-4-6-24-7-5-19/h4-7,14-16H,3,8-13H2,1-2H3
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| InChIKey |
LOXXOFIKTFNJEJ-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