General Information of the Compound
| Compound ID |
CP0448268
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| Compound Name |
3-{3-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C24H27FN6
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| Molecular Weight |
418.52
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| Canonical SMILES |
Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
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| InChI |
InChI=1S/C24H27FN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
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| InChIKey |
FPAXHQTWHNEGRL-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D