General Information of the Compound
| Compound ID |
CP0546332
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| Compound Name |
6-fluoro-3-[3-[3-[(3-methylphenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-1,2-benzoxazole
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| Structure |
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| Formula |
C22H25FN2O3S
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| Molecular Weight |
416.518
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)CC1CCN(CCCc2noc3cc(F)ccc23)C1
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| InChI |
InChI=1S/C22H25FN2O3S/c1-16-4-2-5-19(12-16)29(26,27)15-17-9-11-25(14-17)10-3-6-21-20-8-7-18(23)13-22(20)28-24-21/h2,4-5,7-8,12-13,17H,3,6,9-11,14-15H2,1H3
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| InChIKey |
SYVDJXDQBYVOLF-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