General Information of the Compound
| Compound ID |
CP0417250
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| Compound Name |
2-Oxo-1,2,3,4-tetrahydro-5-thia-2a-aza-acenaphthylene-1-carboxylic acid thiazol-2-ylamide
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| Structure |
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| Formula |
C14H11N3O2S2
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| Molecular Weight |
317.395
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| Canonical SMILES |
O=C(Nc1nccs1)C1C(=O)N2CCSc3cccc1c23
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| InChI |
InChI=1S/C14H11N3O2S2/c18-12(16-14-15-4-6-21-14)10-8-2-1-3-9-11(8)17(13(10)19)5-7-20-9/h1-4,6,10H,5,7H2,(H,15,16,18)
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| InChIKey |
IJIVXEHFNPRYKA-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