General Information of the Compound
| Compound ID |
CP0538031
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| Compound Name |
CHEMBL4644283
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| Formula |
C17H22N2O3S
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| Molecular Weight |
334.441
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| Canonical SMILES |
CCCSc1nc(=O)c(C(C)C)c(O)n1-c1ccccc1OC
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| InChI |
InChI=1S/C17H22N2O3S/c1-5-10-23-17-18-15(20)14(11(2)3)16(21)19(17)12-8-6-7-9-13(12)22-4/h6-9,11,21H,5,10H2,1-4H3
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| InChIKey |
RKMLVDMLEQAGKR-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