General Information of the Compound
| Compound ID |
CP0862349
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| Compound Name |
6-acetyl-4,7-dimethyl-5-(3-(4-(pyrazin-2-yl)piperazin-1-yl)propoxy)-2H-chromen-2-one
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2cnccn2)CC1
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| InChI |
InChI=1S/C24H28N4O4/c1-16-13-19-23(17(2)14-21(30)32-19)24(22(16)18(3)29)31-12-4-7-27-8-10-28(11-9-27)20-15-25-5-6-26-20/h5-6,13-15H,4,7-12H2,1-3H3
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| InChIKey |
QLTARWZYSBVYAR-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