General Information of the Compound
| Compound ID |
CP0497440
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| Compound Name |
Benzyl-{1-[2,2-difluoro-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 |
C26H30F2N6
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| Molecular Weight |
464.564
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| Canonical SMILES |
CN(Cc1ccccc1)C1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C26H30F2N6/c1-32(16-20-5-3-2-4-6-20)22-9-11-33(12-10-22)17-26(27,28)14-21-15-29-25-8-7-23(13-24(21)25)34-18-30-31-19-34/h2-8,13,15,18-19,22,29H,9-12,14,16-17H2,1H3
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| InChIKey |
HDVJEHOQZXAKBI-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