General Information of the Compound
| Compound ID |
CP0283679
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| Compound Name |
5-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindoline
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| Structure |
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| Formula |
C26H31N3O
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| Molecular Weight |
401.554
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| Canonical SMILES |
C(CCN1CCN(CC1)c1cccc2ccccc12)COc1ccc2CNCc2c1
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| InChI |
InChI=1S/C26H31N3O/c1-2-8-25-21(6-1)7-5-9-26(25)29-15-13-28(14-16-29)12-3-4-17-30-24-11-10-22-19-27-20-23(22)18-24/h1-2,5-11,18,27H,3-4,12-17,19-20H2
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| InChIKey |
JKWVQRPLWQNRNL-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