General Information of the Compound
| Compound ID |
CP0383146
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| Compound Name |
Benzyl-{1-[2-fluoro-3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-methyl-amine
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| Structure |
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| Formula |
C26H31FN6
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| Molecular Weight |
446.574
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| Canonical SMILES |
CN(Cc1ccccc1)C1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C26H31FN6/c1-31(16-20-5-3-2-4-6-20)23-9-11-32(12-10-23)17-22(27)13-21-15-28-26-8-7-24(14-25(21)26)33-18-29-30-19-33/h2-8,14-15,18-19,22-23,28H,9-13,16-17H2,1H3
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| InChIKey |
ZHPQQZJJWUOHFA-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