General Information of the Compound
| Compound ID |
CP0549990
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| Compound Name |
N-[(3S,5S)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-5-methylpyrrolidin-3-yl]-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 |
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C23H24FN3O3S2/c1-15-11-18(26-32(28,29)23-12-16-5-2-3-7-22(16)31-23)14-27(15)10-4-6-20-19-9-8-17(24)13-21(19)30-25-20/h2-3,5,7-9,12-13,15,18,26H,4,6,10-11,14H2,1H3/t15-,18-/m0/s1
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| InChIKey |
PQPMBLYTIZGFII-YJBOKZPZSA-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