General Information of the Compound
| Compound ID |
CP0117015
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| Compound Name |
5-fluoro-6-(3-(4-(6-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
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| Structure |
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| Formula |
C25H25F2N3O2
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| Molecular Weight |
437.49
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| Canonical SMILES |
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2cc3C(=O)NCc3cc2F)CC1
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| InChI |
InChI=1S/C25H25F2N3O2/c26-19-5-6-20-17(13-19)3-1-4-23(20)30-10-8-29(9-11-30)7-2-12-32-24-15-21-18(14-22(24)27)16-28-25(21)31/h1,3-6,13-15H,2,7-12,16H2,(H,28,31)
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| InChIKey |
NUHXXOFRYNFFKK-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