General Information of the Compound
| Compound ID |
CP0539867
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| Compound Name |
N-[1-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C25H35FN2O3S
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| Molecular Weight |
462.631
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H35FN2O3S/c1-18(2)23-6-5-7-24(19(3)4)25(23)31-17-16-28-14-12-21(13-15-28)27-32(29,30)22-10-8-20(26)9-11-22/h5-11,18-19,21,27H,12-17H2,1-4H3
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| InChIKey |
GQRQPNBWUJLYJY-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7