General Information of the Compound
| Compound ID |
CP0561688
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| Compound Name |
1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1,2-benzothiazol-3-one
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| Formula |
C21H22F3N3O3S
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| Molecular Weight |
453.486
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C21H22F3N3O3S/c22-21(23,24)16-5-3-6-17(15-16)26-13-11-25(12-14-26)9-4-10-27-20(28)18-7-1-2-8-19(18)31(27,29)30/h1-3,5-8,15H,4,9-14H2
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| InChIKey |
NXFJDIPRFJANKK-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