General Information of the Compound
| Compound ID |
CP0443106
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| Compound Name |
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-1,3-benzothiazole-4-sulfonamide
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| Structure |
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| Formula |
C23H25FN4O3S2
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| Molecular Weight |
488.61
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3scnc23)CC1
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| InChI |
InChI=1S/C23H25FN4O3S2/c24-17-6-7-18-19(14-17)31-27-22(18)16-8-12-28(13-9-16)11-2-1-10-26-33(29,30)21-5-3-4-20-23(21)25-15-32-20/h3-7,14-16,26H,1-2,8-13H2
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| InChIKey |
ZLGZCZCALIKICJ-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