General Information of the Compound
| Compound ID |
CP0071459
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| Compound Name |
5-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindoline
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| Structure |
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| Formula |
C26H30FN3O
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| Molecular Weight |
419.544
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| Canonical SMILES |
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1
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| InChI |
InChI=1S/C26H30FN3O/c27-23-8-6-20-4-3-5-26(25(20)17-23)30-13-11-29(12-14-30)10-1-2-15-31-24-9-7-21-18-28-19-22(21)16-24/h3-9,16-17,28H,1-2,10-15,18-19H2
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| InChIKey |
RWDCOKXPTKLVHK-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