General Information of the Compound
| Compound ID |
CP0908167
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| Compound Name |
Methyl N-{4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl}carbamimidothioate hydroiodide
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| Structure |
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| Formula |
C15H19IN4OS2
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| Molecular Weight |
462.382
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| Canonical SMILES |
CSC(=N)Nc1ccc(CCc2csc(NC(C)=O)n2)cc1.I
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| InChI |
InChI=1S/C15H18N4OS2.HI/c1-10(20)17-15-19-13(9-22-15)8-5-11-3-6-12(7-4-11)18-14(16)21-2;/h3-4,6-7,9H,5,8H2,1-2H3,(H2,16,18)(H,17,19,20);1H
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| InChIKey |
DMPANQOVUYJHCT-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