General Information of the Compound
| Compound ID |
CP0093028
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| Compound Name |
5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
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| Structure |
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| Formula |
C25H26FN3O2
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| Molecular Weight |
419.5
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| Canonical SMILES |
Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H26FN3O2/c26-22-15-19-17-27-25(30)21(19)16-24(22)31-14-4-9-28-10-12-29(13-11-28)23-8-3-6-18-5-1-2-7-20(18)23/h1-3,5-8,15-16H,4,9-14,17H2,(H,27,30)
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| InChIKey |
MIXXVGJQYQTQIC-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
Protein ID: PT00871, Sodium-dependent serotonin transporter