General Information of the Compound
| Compound ID |
CP0857134
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| Compound Name |
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 |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
Cc1cc(OCCCN2CCN(c3cnccn3)CC2)c2c(C)cc(=O)oc2c1
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| InChI |
InChI=1S/C22H26N4O3/c1-16-12-18(22-17(2)14-21(27)29-19(22)13-16)28-11-3-6-25-7-9-26(10-8-25)20-15-23-4-5-24-20/h4-5,12-15H,3,6-11H2,1-2H3
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| InChIKey |
BFKWPFXFDDLDLI-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