General Information of the Compound
| Compound ID |
CP0447214
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| Compound Name |
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C26H28FN3O3S
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| Molecular Weight |
481.593
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C26H28FN3O3S/c27-21-10-11-23-24(18-21)33-29-26(23)20-12-16-30(17-13-20)15-4-3-14-28-34(31,32)25-9-5-7-19-6-1-2-8-22(19)25/h1-2,5-11,18,20,28H,3-4,12-17H2
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| InChIKey |
NLQDMIUSBFMXRV-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