General Information of the Compound
| Compound ID |
CP0451677
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| Compound Name |
N-(2-hydroxypropyl)-4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C18H17N3O3S2
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| Molecular Weight |
387.486
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| Canonical SMILES |
CC(O)CNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C18H17N3O3S2/c1-10(22)9-19-16(23)12-4-2-11(3-5-12)15-7-6-13(26-15)8-14-17(24)21-18(25)20-14/h2-8,10,22H,9H2,1H3,(H,19,23)(H2,20,21,24,25)/b14-8+
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| InChIKey |
QUXCXOLFRDIEDH-RIYZIHGNSA-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