General Information of the Compound
| Compound ID |
CP0829638
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| Compound Name |
(3R,4R)-6-Fluoro-3-(4-fluoropiperidin-3-yl)-2-thiophen-3-yl-1H-indole
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| Structure |
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| Formula |
C17H16F2N2S
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| Molecular Weight |
318.392
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| Canonical SMILES |
Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1
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| InChI |
InChI=1S/C17H16F2N2S/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13-,14-/m1/s1
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| InChIKey |
GVERGJNQZKUDON-ZIAGYGMSSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2