General Information of the Compound
| Compound ID |
CP0413769
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| Compound Name |
4-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C23H31FN2O3S
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| Molecular Weight |
434.577
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C23H31FN2O3S/c1-18(2)22-5-3-4-6-23(22)29-16-15-26-13-11-19(12-14-26)17-25-30(27,28)21-9-7-20(24)8-10-21/h3-10,18-19,25H,11-17H2,1-2H3
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| InChIKey |
IXEYQNFHDYVRSV-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor