General Information of the Compound
| Compound ID |
CP0393100
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| Compound Name |
4-(4-methylphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole
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| Structure |
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| Formula |
C13H9N3O3S
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| Molecular Weight |
287.3
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| Canonical SMILES |
Cc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
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| InChI |
InChI=1S/C13H9N3O3S/c1-8-2-4-9(5-3-8)20-11-7-6-10(16(17)18)12-13(11)15-19-14-12/h2-7H,1H3
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| InChIKey |
SQAVTBVSLRAJAT-UHFFFAOYSA-N
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| CAS |
53619-61-7
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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