General Information of the Compound
| Compound ID |
CP0417788
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| Compound Name |
3-(phenylsulfonyl)-1H-indole, 18f
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| Structure |
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| Formula |
C19H22N2O2S
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| Molecular Weight |
342.464
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| Canonical SMILES |
CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3
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| InChIKey |
BNWDHFFDZARHMY-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01026, Sodium-dependent noradrenaline transporter