General Information of the Compound
| Compound ID |
CP0561285
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| Compound Name |
3-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,1-dioxothietan-3-ol
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| Structure |
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| Formula |
C15H22O3S
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| Molecular Weight |
282.405
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)C(C)C1(O)CS(=O)(=O)C1
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| InChI |
InChI=1S/C15H22O3S/c1-11(2)8-13-4-6-14(7-5-13)12(3)15(16)9-19(17,18)10-15/h4-7,11-12,16H,8-10H2,1-3H3
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| InChIKey |
WHTJUEJBCMZSFC-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