General Information of the Compound
| Compound ID |
CP0395029
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| Compound Name |
3-(2-Fluoro-3-{4-[2-(4-fluoro-phenyl)-propyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C26H30F2N6
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| Molecular Weight |
464.564
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| Canonical SMILES |
CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H30F2N6/c1-19(20-2-4-22(27)5-3-20)15-32-8-10-33(11-9-32)16-23(28)12-21-14-29-26-7-6-24(13-25(21)26)34-17-30-31-18-34/h2-7,13-14,17-19,23,29H,8-12,15-16H2,1H3
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| InChIKey |
VQZDZTOKSITKJO-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