General Information of the Compound
| Compound ID |
CP0521348
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| Compound Name |
CHEMBL4638827
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| Formula |
C11H16N2O2S
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| Molecular Weight |
240.328
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| Canonical SMILES |
CCC(C)Sc1nc(=O)cc(O)n1CC=C
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| InChI |
InChI=1S/C11H16N2O2S/c1-4-6-13-10(15)7-9(14)12-11(13)16-8(3)5-2/h4,7-8,15H,1,5-6H2,2-3H3
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| InChIKey |
PXJPWNJSJXLYGY-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