General Information of the Compound
| Compound ID |
CP0039991
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| Compound Name |
6-(3-(4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
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| InChI |
InChI=1S/C25H31N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-4-11-27-12-14-28(15-13-27)24-8-3-6-19-5-1-2-7-22(19)24/h3,6,8-10,17H,1-2,4-5,7,11-16,18H2,(H,26,29)
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| InChIKey |
WISQKUCSRCKUNV-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