General Information of the Compound
| Compound ID |
CP0446201
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| Compound Name |
5-fluoro-3-[2-[4-[2-(2-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 |
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1
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| InChI |
InChI=1S/C26H25F2N3/c27-20-9-10-25-23(17-20)19(18-29-25)11-12-30-13-15-31(16-14-30)26-8-4-2-6-22(26)21-5-1-3-7-24(21)28/h1-10,17-18,29H,11-16H2
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| InChIKey |
JLWIDAKJUHQHIW-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