General Information of the Compound
| Compound ID |
CP0486987
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| Compound Name |
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C22H24N4O3S2
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| Molecular Weight |
456.593
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| Canonical SMILES |
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1cc2ccccc2s1
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| InChI |
InChI=1S/C22H24N4O3S2/c27-31(28,21-16-17-6-1-4-9-20(17)30-21)23-10-5-11-25-12-14-26(15-13-25)22-18-7-2-3-8-19(18)29-24-22/h1-4,6-9,16,23H,5,10-15H2
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| InChIKey |
DCFQCUAMUNSALM-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