General Information of the Compound
| Compound ID |
CP0870810
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| Compound Name |
2,2'-oxybis(2,1-phenylene)bis(methylene)dicarbamimidothioate hydrobromide
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| Structure |
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| Formula |
C16H19BrN4OS2
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| Molecular Weight |
427.393
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| Canonical SMILES |
Br.N=C(N)SCc1ccccc1Oc1ccccc1CSC(=N)N
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| InChI |
InChI=1S/C16H18N4OS2.BrH/c17-15(18)22-9-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)10-23-16(19)20;/h1-8H,9-10H2,(H3,17,18)(H3,19,20);1H
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| InChIKey |
KOJYWQBJOVENRB-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