General Information of the Compound
| Compound ID |
CP0424886
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| Compound Name |
4-fluoro-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide
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| Formula |
C24H27F2N3O4S
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| Molecular Weight |
491.56
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C1COC1
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| InChI |
InChI=1S/C24H27F2N3O4S/c25-18-2-5-21(6-3-18)34(30,31)29(20-15-32-16-20)11-1-10-28-12-8-17(9-13-28)24-22-7-4-19(26)14-23(22)33-27-24/h2-7,14,17,20H,1,8-13,15-16H2
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| InChIKey |
SHZVXUBQYBBGNZ-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