General Information of the Compound
| Compound ID |
CP0535319
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| Compound Name |
CHEMBL4635715
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| Formula |
C15H18N2O3S
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| Molecular Weight |
306.387
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| Canonical SMILES |
COc1ccccc1-n1c(O)cc(=O)nc1SCC(C)C
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| InChI |
InChI=1S/C15H18N2O3S/c1-10(2)9-21-15-16-13(18)8-14(19)17(15)11-6-4-5-7-12(11)20-3/h4-8,10,19H,9H2,1-3H3
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| InChIKey |
IRGRZBYEIHXSFV-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