General Information of the Compound
| Compound ID |
CP0440922
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| Compound Name |
N-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C24H27FN4O3S2
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| Molecular Weight |
502.637
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| Canonical SMILES |
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C24H27FN4O3S2/c1-17-20-16-18(25)8-9-22(20)33-24(17)34(30,31)26-10-4-5-11-28-12-14-29(15-13-28)23-19-6-2-3-7-21(19)32-27-23/h2-3,6-9,16,26H,4-5,10-15H2,1H3
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| InChIKey |
RJBZCOQIWDMFST-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