General Information of the Compound
| Compound ID |
CP0468111
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| Compound Name |
1-Phenethyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-2-one
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| Structure |
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| Formula |
C25H28N6O
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| Molecular Weight |
428.54
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| Canonical SMILES |
O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1CCc1ccccc1
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| InChI |
InChI=1S/C25H28N6O/c32-25-17-29(13-14-30(25)12-10-20-5-2-1-3-6-20)11-4-7-21-16-26-24-9-8-22(15-23(21)24)31-18-27-28-19-31/h1-3,5-6,8-9,15-16,18-19,26H,4,7,10-14,17H2
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| InChIKey |
FVUNSWROPFFXFF-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