General Information of the Compound
| Compound ID |
CP0864705
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| Compound Name |
4,7-dimethyl-5-(4-(4-(pyrazin-2-yl)piperazin-1-yl)butoxy)-2H-chromen-2-one
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
Cc1cc(OCCCCN2CCN(c3cnccn3)CC2)c2c(C)cc(=O)oc2c1
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| InChI |
InChI=1S/C23H28N4O3/c1-17-13-19(23-18(2)15-22(28)30-20(23)14-17)29-12-4-3-7-26-8-10-27(11-9-26)21-16-24-5-6-25-21/h5-6,13-16H,3-4,7-12H2,1-2H3
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| InChIKey |
IFAGXKBKYBOZOJ-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