General Information of the Compound
| Compound ID |
CP0844291
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| Compound Name |
(3R,4R)-6-Fluoro-2-(4-fluorophenyl)-3-(4-fluoropiperidin-3-yl)-1H-indole
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| Structure |
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| Formula |
C19H17F3N2
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| Molecular Weight |
330.353
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| Canonical SMILES |
Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1
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| InChI |
InChI=1S/C19H17F3N2/c20-12-3-1-11(2-4-12)19-18(15-10-23-8-7-16(15)22)14-6-5-13(21)9-17(14)24-19/h1-6,9,15-16,23-24H,7-8,10H2/t15-,16-/m1/s1
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| InChIKey |
HXEXYULSUCMWPN-HZPDHXFCSA-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