General Information of the Compound
| Compound ID |
CP0457362
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| Compound Name |
N-(2,3-dihydroxypropyl)-4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C18H17N3O4S2
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| Molecular Weight |
403.485
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| Canonical SMILES |
OCC(O)CNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C18H17N3O4S2/c22-9-12(23)8-19-16(24)11-3-1-10(2-4-11)15-6-5-13(27-15)7-14-17(25)21-18(26)20-14/h1-7,12,22-23H,8-9H2,(H,19,24)(H2,20,21,25,26)/b14-7+
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| InChIKey |
ZRGZTQYMBGILLZ-VGOFMYFVSA-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