General Information of the Compound
| Compound ID |
CP0498564
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| Compound Name |
3-{3-[4-Fluoro-4-(3-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 |
Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
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| InChI |
InChI=1S/C25H27F2N5/c26-21-5-1-3-19(13-21)15-25(27)8-11-31(12-9-25)10-2-4-20-16-28-24-7-6-22(14-23(20)24)32-17-29-30-18-32/h1,3,5-7,13-14,16-18,28H,2,4,8-12,15H2
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| InChIKey |
LPPYLTGGPIRXQL-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