General Information of the Compound
| Compound ID |
CP0497439
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| Compound Name |
3-(2-Fluoro-3-{4-[2-(3-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)c1cccc(F)c1
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| InChI |
InChI=1S/C26H30F2N6/c1-19(20-3-2-4-22(27)11-20)15-32-7-9-33(10-8-32)16-23(28)12-21-14-29-26-6-5-24(13-25(21)26)34-17-30-31-18-34/h2-6,11,13-14,17-19,23,29H,7-10,12,15-16H2,1H3
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| InChIKey |
OSMWOUQXOWZMEO-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