General Information of the Compound
| Compound ID |
CP0395010
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| Compound Name |
3-{3-[4-Fluoro-4-(2-fluoro-benzyl)-piperidin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C25H27F2N5
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| Molecular Weight |
435.522
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| Canonical SMILES |
Fc1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C25H27F2N5/c26-23-6-2-1-4-19(23)15-25(27)9-12-31(13-10-25)11-3-5-20-16-28-24-8-7-21(14-22(20)24)32-17-29-30-18-32/h1-2,4,6-8,14,16-18,28H,3,5,9-13,15H2
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| InChIKey |
PGTFTPBMXIPEMW-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