General Information of the Compound
| Compound ID |
CP0464690
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| Compound Name |
3-(Thiophen-3-yl)coumarin
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| Structure |
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| Formula |
C13H8O2S
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| Molecular Weight |
228.272
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| Canonical SMILES |
O=c1oc2ccccc2cc1-c1ccsc1
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| InChI |
InChI=1S/C13H8O2S/c14-13-11(10-5-6-16-8-10)7-9-3-1-2-4-12(9)15-13/h1-8H
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| InChIKey |
AYXHEBIDAQCXLK-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