General Information of the Compound
| Compound ID |
CP0367543
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| Compound Name |
6-(3-Nitro-phenyl)-3H-benzothiazol-2-one
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| Synonyms |
6-(3-Nitro-phenyl)-3H-benzothiazol-2-one
BDBM50105566
CHEMBL315445
NGWRFPUBBONZGG-UHFFFAOYSA-N
SCHEMBL6541670
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| Structure |
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| Formula |
C13H8N2O3S
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| Molecular Weight |
272.285
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc2[n-]c(=[OH+])sc2c1
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| InChI |
InChI=1S/C13H8N2O3S/c16-13-14-11-5-4-9(7-12(11)19-13)8-2-1-3-10(6-8)15(17)18/h1-7H,(H,14,16)
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| InChIKey |
NGWRFPUBBONZGG-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
Clinical Information about the Compound