General Information of the Compound
| Compound ID |
CP0565046
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| Compound Name |
3-bromo-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
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| Structure |
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| Formula |
C14H9BrN2O4S
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| Molecular Weight |
381.207
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| Canonical SMILES |
Brc1cccc(c1)C(=O)Nc1cccc2c1C(=O)NS2(=O)=O
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| InChI |
InChI=1S/C14H9BrN2O4S/c15-9-4-1-3-8(7-9)13(18)16-10-5-2-6-11-12(10)14(19)17-22(11,20)21/h1-7H,(H,16,18)(H,17,19)
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| InChIKey |
PNOMDVOEIIHCFK-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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