General Information of the Compound
| Compound ID |
CP0422757
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| Compound Name |
3-[3-(4-Benzyl-piperidin-1-yl)-2,2-difluoro-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 |
FC(F)(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C25H27F2N5/c26-25(27,16-31-10-8-20(9-11-31)12-19-4-2-1-3-5-19)14-21-15-28-24-7-6-22(13-23(21)24)32-17-29-30-18-32/h1-7,13,15,17-18,20,28H,8-12,14,16H2
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| InChIKey |
INBTVCOPSDFUHI-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