General Information of the Compound
| Compound ID |
CP0443105
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| Compound Name |
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-1,3-benzothiazole-4-sulfonamide
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| Structure |
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| Formula |
C22H23FN4O3S2
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| Molecular Weight |
474.583
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccc3scnc23)CC1
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| InChI |
InChI=1S/C22H23FN4O3S2/c23-16-5-6-17-18(13-16)30-26-21(17)15-7-11-27(12-8-15)10-2-9-25-32(28,29)20-4-1-3-19-22(20)24-14-31-19/h1,3-6,13-15,25H,2,7-12H2
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| InChIKey |
IJJVMTLWQBMFNW-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