General Information of the Compound
| Compound ID |
CP0290636
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| Compound Name |
5-fluoro-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H28FN3O2/c27-23-16-20-18-28-26(31)22(20)17-25(23)32-15-4-3-10-29-11-13-30(14-12-29)24-9-5-7-19-6-1-2-8-21(19)24/h1-2,5-9,16-17H,3-4,10-15,18H2,(H,28,31)
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| InChIKey |
SROBMKRRHVLVHU-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