General Information of the Compound
| Compound ID |
CP0117466
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| Compound Name |
US9241942, 37-3
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| Structure |
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| Formula |
C14H10O3S
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| Molecular Weight |
258.298
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| Canonical SMILES |
COc1cc(cc(C=O)c1O)C#Cc1cccs1
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| InChI |
InChI=1S/C14H10O3S/c1-17-13-8-10(7-11(9-15)14(13)16)4-5-12-3-2-6-18-12/h2-3,6-9,16H,1H3
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| InChIKey |
JQCOPQWOECLJKB-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