General Information of the Compound
| Compound ID |
CP0467698
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| Compound Name |
5-fluoro-3-[3-[4-(2-phenylphenyl)piperazin-1-yl]propyl]-1H-indole
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| Structure |
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| Formula |
C27H28FN3
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| Molecular Weight |
413.54
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
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| InChI |
InChI=1S/C27H28FN3/c28-23-12-13-26-25(19-23)22(20-29-26)9-6-14-30-15-17-31(18-16-30)27-11-5-4-10-24(27)21-7-2-1-3-8-21/h1-5,7-8,10-13,19-20,29H,6,9,14-18H2
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| InChIKey |
IDAPODLHCQBQIS-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