General Information of the Compound
| Compound ID |
CP0421573
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| Compound Name |
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C24H28FN3O4S
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| Molecular Weight |
473.57
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C24H28FN3O4S/c25-19-7-8-22-23(15-19)32-26-24(22)18-9-13-27(14-10-18)11-4-12-28(20-16-31-17-20)33(29,30)21-5-2-1-3-6-21/h1-3,5-8,15,18,20H,4,9-14,16-17H2
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| InChIKey |
LUXCAJUFWQQFRI-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: PT01005, D(2) dopamine receptor