General Information of the Compound
| Compound ID |
CP0461312
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| Compound Name |
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C23H24FN3O3S2
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| Molecular Weight |
473.595
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C23H24FN3O3S2/c24-18-6-7-19-20(15-18)30-26-23(19)16-8-12-27(13-9-16)11-3-10-25-32(28,29)22-14-17-4-1-2-5-21(17)31-22/h1-2,4-7,14-16,25H,3,8-13H2
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| InChIKey |
SNDXGGDDBIUIIR-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