General Information of the Compound
| Compound ID |
CP0436031
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| Compound Name |
(5E)-5-[[5-[4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
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| Structure |
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| Formula |
C19H17N3O3S2
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| Molecular Weight |
399.497
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| Canonical SMILES |
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C19H17N3O3S2/c23-17-15(20-19(26)21-17)11-14-5-6-16(27-14)12-1-3-13(4-2-12)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23,26)/b15-11+
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| InChIKey |
GTKPBIAPZHSTSV-RVDMUPIBSA-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