General Information of the Compound
| Compound ID |
CP0302319
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| Compound Name |
N-tert-butyl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
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| Structure |
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| Formula |
C13H15Cl2N3O2S
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| Molecular Weight |
348.255
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| Canonical SMILES |
CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
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| InChI |
InChI=1S/C13H15Cl2N3O2S/c1-13(2,3)18-11-12(21(4,19)20)17-10-6-8(15)7(14)5-9(10)16-11/h5-6H,1-4H3,(H,16,18)
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| InChIKey |
GNZCSGYHILBXLL-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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