General Information of the Compound
| Compound ID |
CP0498039
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| Compound Name |
3-{3-[4-Fluoro-4-(2-phenyl-propyl)-piperidin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C27H32FN5
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| Molecular Weight |
445.586
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| Canonical SMILES |
CC(CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H32FN5/c1-21(22-6-3-2-4-7-22)17-27(28)11-14-32(15-12-27)13-5-8-23-18-29-26-10-9-24(16-25(23)26)33-19-30-31-20-33/h2-4,6-7,9-10,16,18-21,29H,5,8,11-15,17H2,1H3
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| InChIKey |
QMDVYSZKHYCAPX-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