General Information of the Compound
| Compound ID |
CP0447212
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| Compound Name |
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C18H22N4O3S2
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| Molecular Weight |
406.533
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| Canonical SMILES |
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1cccs1
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| InChI |
InChI=1S/C18H22N4O3S2/c23-27(24,17-7-3-14-26-17)19-8-4-9-21-10-12-22(13-11-21)18-15-5-1-2-6-16(15)25-20-18/h1-3,5-7,14,19H,4,8-13H2
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| InChIKey |
VIYCCCHLLWDXDN-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