General Information of the Compound
| Compound ID |
CP0486430
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| Compound Name |
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(furan-2-yl)-1,3-thiazole
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| Structure |
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| Formula |
C18H17F2N3O3S2
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| Molecular Weight |
425.482
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| Canonical SMILES |
Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(Cc2csc(n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C18H17F2N3O3S2/c19-13-8-14(20)10-16(9-13)28(24,25)23-5-3-22(4-6-23)11-15-12-27-18(21-15)17-2-1-7-26-17/h1-2,7-10,12H,3-6,11H2
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| InChIKey |
KJYRKMRVZDAALT-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