General Information of the Compound
| Compound ID |
CP0829637
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| Compound Name |
(3R,4R)-6-Fluoro-3-(4-fluoropiperidin-3-yl)-2-naphthalen-1-yl-1H-indole
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| Structure |
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| Formula |
C23H20F2N2
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| Molecular Weight |
362.423
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| Canonical SMILES |
Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1
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| InChI |
InChI=1S/C23H20F2N2/c24-17-7-8-18-21(12-17)27-23(22(18)19-13-26-10-9-20(19)25)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-12,19-20,26-27H,9-10,13H2/t19-,20-/m1/s1
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| InChIKey |
DAUSNPVLXKKGNQ-WOJBJXKFSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2