General Information of the Compound
| Compound ID |
CP0099035
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| Compound Name |
(3E)-3-(1,3-benzothiazol-6-ylmethylidene)oxolan-2-one
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| Structure |
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| Formula |
C12H9NO2S
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| Molecular Weight |
231.276
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| Canonical SMILES |
O=C1OCC\C1=C/c1ccc2ncsc2c1
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| InChI |
InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
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| InChIKey |
FMOOGIYSVBVFIT-WEVVVXLNSA-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