General Information of the Compound
| Compound ID |
CP0447245
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| Compound Name |
6-chloro-N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C24H25ClFN3O3S2
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| Molecular Weight |
522.067
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
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| InChI |
InChI=1S/C24H25ClFN3O3S2/c25-18-4-3-17-13-23(33-22(17)14-18)34(30,31)27-9-1-2-10-29-11-7-16(8-12-29)24-20-6-5-19(26)15-21(20)32-28-24/h3-6,13-16,27H,1-2,7-12H2
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| InChIKey |
ZMIWRRKLVCCVBJ-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