General Information of the Compound
| Compound ID |
CP0573522
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| Compound Name |
[4-[2-fluoro-4-(1-methoxyethyl)phenyl]piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone
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| Synonyms |
CHEMBL3746420
GSK494581A
GTPL5562
SCHEMBL4940960
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| Structure |
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| Formula |
C27H28F2N2O4S
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| Molecular Weight |
514.594
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| Canonical SMILES |
COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3
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| InChIKey |
JQXZHDOSMUZLML-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
Clinical Information about the Compound