General Information of the Compound
| Compound ID |
CP0551500
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| Compound Name |
3-[3-[3-[(3-chloro-4-fluorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
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| Structure |
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| Formula |
C21H21ClF2N2O3S
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| Molecular Weight |
454.926
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| Canonical SMILES |
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(F)c(Cl)c4)C3)noc2c1
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| InChI |
InChI=1S/C21H21ClF2N2O3S/c22-18-11-16(4-6-19(18)24)30(27,28)13-14-7-9-26(12-14)8-1-2-20-17-5-3-15(23)10-21(17)29-25-20/h3-6,10-11,14H,1-2,7-9,12-13H2
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| InChIKey |
QWQLAYGIWUDXCY-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