General Information of the Compound
| Compound ID |
CP0405600
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| Compound Name |
5-fluoro-3-[2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]-1H-indole
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| Structure |
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| Formula |
C26H26FN3
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| Molecular Weight |
399.513
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
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| InChI |
InChI=1S/C26H26FN3/c27-22-10-11-25-24(18-22)21(19-28-25)12-13-29-14-16-30(17-15-29)26-9-5-4-8-23(26)20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2
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| InChIKey |
JQTBIDKOADOXPE-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