General Information of the Compound
| Compound ID |
CP0053098
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| Compound Name |
6-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
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| InChI |
InChI=1S/C25H31N3O3/c29-25-22-17-21(9-8-20(22)18-26-25)30-15-2-1-10-27-11-13-28(14-12-27)23-7-3-5-19-6-4-16-31-24(19)23/h3,5,7-9,17H,1-2,4,6,10-16,18H2,(H,26,29)
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| InChIKey |
FFGYZWWOVBUEIV-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: PT01005, D(2) dopamine receptor