General Information of the Compound
| Compound ID |
CP0393241
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| Compound Name |
3-(2,2-Difluoro-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 |
C26H29F3N6
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| Molecular Weight |
482.554
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| Canonical SMILES |
CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H29F3N6/c1-19(20-2-4-22(27)5-3-20)15-33-8-10-34(11-9-33)16-26(28,29)13-21-14-30-25-7-6-23(12-24(21)25)35-17-31-32-18-35/h2-7,12,14,17-19,30H,8-11,13,15-16H2,1H3
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| InChIKey |
WLPFIOOWKOLXJM-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