General Information of the Compound
| Compound ID |
CP0440757
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| Compound Name |
3-chloro-4-fluoro-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H22ClF2N3O3S
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| Molecular Weight |
469.941
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C21H22ClF2N3O3S/c22-18-13-16(3-5-19(18)24)31(28,29)25-8-1-9-27-10-6-14(7-11-27)21-17-4-2-15(23)12-20(17)30-26-21/h2-5,12-14,25H,1,6-11H2
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| InChIKey |
FQRIRCXYLMTNDU-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