General Information of the Compound
| Compound ID |
CP0528049
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| Compound Name |
6-fluoro-3-[3-[3-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidin-1-yl]propyl]-1,2-benzoxazole
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| Structure |
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| Formula |
C22H22F4N2O3S
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| Molecular Weight |
470.488
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| Canonical SMILES |
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(cc4)C(F)(F)F)C3)noc2c1
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| InChI |
InChI=1S/C22H22F4N2O3S/c23-17-5-8-19-20(27-31-21(19)12-17)2-1-10-28-11-9-15(13-28)14-32(29,30)18-6-3-16(4-7-18)22(24,25)26/h3-8,12,15H,1-2,9-11,13-14H2
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| InChIKey |
YQKJNAOFYRHUIC-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor