General Information of the Compound
| Compound ID |
CP0455706
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| Compound Name |
5-fluoro-3-[2-[4-[2-(3-fluorophenyl)phenyl]piperazin-1-yl]ethyl]-1H-indole
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| Structure |
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| Formula |
C26H25F2N3
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| Molecular Weight |
417.503
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| Canonical SMILES |
Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
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| InChI |
InChI=1S/C26H25F2N3/c27-21-5-3-4-19(16-21)23-6-1-2-7-26(23)31-14-12-30(13-15-31)11-10-20-18-29-25-9-8-22(28)17-24(20)25/h1-9,16-18,29H,10-15H2
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| InChIKey |
XQJJMSAULHQJSQ-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: PT00941, 5-hydroxytryptamine receptor 7