General Information of the Compound
| Compound ID |
CP0039961
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| Compound Name |
5-(3-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindoline
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| Structure |
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| Formula |
C25H28FN3O
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| Molecular Weight |
405.517
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| Canonical SMILES |
Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNCc5c4)CC3)c2c1
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| InChI |
InChI=1S/C25H28FN3O/c26-22-7-5-19-3-1-4-25(24(19)16-22)29-12-10-28(11-13-29)9-2-14-30-23-8-6-20-17-27-18-21(20)15-23/h1,3-8,15-16,27H,2,9-14,17-18H2
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| InChIKey |
JVMBIOQCKALKPB-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