General Information of the Compound
| Compound ID |
CP0447213
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| Compound Name |
3-chloro-4-fluoro-N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H24ClF2N3O3S
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| Molecular Weight |
483.968
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C22H24ClF2N3O3S/c23-19-14-17(4-6-20(19)25)32(29,30)26-9-1-2-10-28-11-7-15(8-12-28)22-18-5-3-16(24)13-21(18)31-27-22/h3-6,13-15,26H,1-2,7-12H2
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| InChIKey |
DCVQHBNYAZYIKB-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