General Information of the Compound
| Compound ID |
CP0943206
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| Compound Name |
N-(diaminomethylene)-2-(3,5-dimethylphenyl)-5-methyloxazole-4-carboxamide methanesulfonate
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| Structure |
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| Formula |
C15H20N4O5S
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| Molecular Weight |
368.415
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| Canonical SMILES |
CS(=O)(=O)O.Cc1cc(C)cc(-c2nc(C(=O)N=C(N)N)c(C)o2)c1
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| InChI |
InChI=1S/C14H16N4O2.CH4O3S/c1-7-4-8(2)6-10(5-7)13-17-11(9(3)20-13)12(19)18-14(15)16;1-5(2,3)4/h4-6H,1-3H3,(H4,15,16,18,19);1H3,(H,2,3,4)
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| InChIKey |
PBBJKWUIEUGYKC-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