General Information of the Compound
| Compound ID |
CP0488673
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| Compound Name |
6-fluoro-3-[3-[3-[(4-fluorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-1,2-benzoxazole
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| Structure |
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| Formula |
C21H22F2N2O3S
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| Molecular Weight |
420.481
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)CC1CCN(CCCc2noc3cc(F)ccc23)C1
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| InChI |
InChI=1S/C21H22F2N2O3S/c22-16-3-6-18(7-4-16)29(26,27)14-15-9-11-25(13-15)10-1-2-20-19-8-5-17(23)12-21(19)28-24-20/h3-8,12,15H,1-2,9-11,13-14H2
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| InChIKey |
CHOJSUXPQWHSGV-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