General Information of the Compound
| Compound ID |
CP0504689
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| Compound Name |
3-[2,2-Difluoro-3-(4-phenethyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C26H29F2N5
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| Molecular Weight |
449.549
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| Canonical SMILES |
FC(F)(CN1CCC(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C26H29F2N5/c27-26(28,17-32-12-10-21(11-13-32)7-6-20-4-2-1-3-5-20)15-22-16-29-25-9-8-23(14-24(22)25)33-18-30-31-19-33/h1-5,8-9,14,16,18-19,21,29H,6-7,10-13,15,17H2
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| InChIKey |
ODVAQIGJSXTYDY-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