General Information of the Compound
| Compound ID |
CP0501678
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| Compound Name |
2-[4-(4-bromo-phenyl)-pyridin-3-yl]-3-isobutyl-1-oxo-1lambda*4*-thiazolidin-4-one
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| Structure |
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| Formula |
C18H19BrN2O2S
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| Molecular Weight |
407.333
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| Canonical SMILES |
CC(C)CN1C(c2cnccc2-c2ccc(Br)cc2)S(=O)CC1=O
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| InChI |
InChI=1S/C18H19BrN2O2S/c1-12(2)10-21-17(22)11-24(23)18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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| InChIKey |
SCEQKECTMMQORQ-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