General Information of the Compound
| Compound ID |
CP0371905
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| Compound Name |
2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)butyl)-1, 2-benzisothiazole-3(2H)-one 1,1-dioxide
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| Structure |
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| Formula |
C22H24F3N3O3S
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| Molecular Weight |
467.513
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2
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| InChIKey |
BFNRVMJMTPNWFK-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor