General Information of the Compound
| Compound ID |
CP0857137
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| Compound Name |
6-acetyl-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 |
C25H30N4O4
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| Molecular Weight |
450.539
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| Canonical SMILES |
CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCCN1CCN(c2cnccn2)CC1
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| InChI |
InChI=1S/C25H30N4O4/c1-17-14-20-24(18(2)15-22(31)33-20)25(23(17)19(3)30)32-13-5-4-8-28-9-11-29(12-10-28)21-16-26-6-7-27-21/h6-7,14-16H,4-5,8-13H2,1-3H3
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| InChIKey |
WFEZOHPZFDVRPN-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