General Information of the Compound
| Compound ID |
CP0485048
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| Compound Name |
2-(4-(4-bromophenyl)pyridin-3-yl)-3-sec-butylthiazolidin-4-one
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| Structure |
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| Formula |
C18H19BrN2OS
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| Molecular Weight |
391.334
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| Canonical SMILES |
CCC(C)N1C(SCC1=O)c1cnccc1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C18H19BrN2OS/c1-3-12(2)21-17(22)11-23-18(21)16-10-20-9-8-15(16)13-4-6-14(19)7-5-13/h4-10,12,18H,3,11H2,1-2H3
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| InChIKey |
GBHZHCQFJBOUSB-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