General Information of the Compound
| Compound ID |
CP0870361
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| Compound Name |
2-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
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| Structure |
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| Formula |
C15H22ClN5O8S2
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| Molecular Weight |
499.955
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| Canonical SMILES |
COc1ccc(Cl)cc1-c1nc(C(=O)N=C(N)N)c(C)[nH]1.CS(=O)(=O)O.CS(=O)(=O)O
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| InChI |
InChI=1S/C13H14ClN5O2.2CH4O3S/c1-6-10(12(20)19-13(15)16)18-11(17-6)8-5-7(14)3-4-9(8)21-2;2*1-5(2,3)4/h3-5H,1-2H3,(H,17,18)(H4,15,16,19,20);2*1H3,(H,2,3,4)
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| InChIKey |
QGZMEJMSTFJIOM-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