General Information of the Compound
| Compound ID |
CP0534665
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| Compound Name |
5-[[6-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-1,3-benzothiazol-4-yl]methyl]furan-2-carboxylic acid
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| Structure |
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| Formula |
C18H15ClN2O3S
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| Molecular Weight |
374.849
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| Canonical SMILES |
OC(=O)c1ccc(Cc2cc(Cl)cc3sc(nc23)N2CCC=CC2)o1
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| InChI |
InChI=1S/C18H15ClN2O3S/c19-12-8-11(9-13-4-5-14(24-13)17(22)23)16-15(10-12)25-18(20-16)21-6-2-1-3-7-21/h1-2,4-5,8,10H,3,6-7,9H2,(H,22,23)
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| InChIKey |
WCOTXBFNSQJQSG-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