General Information of the Compound
| Compound ID |
CP0493920
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| Compound Name |
N-(3-morpholin-4-ylpropyl)-4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C22H24N4O3S2
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| Molecular Weight |
456.593
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| Canonical SMILES |
O=C(NCCCN1CCOCC1)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C22H24N4O3S2/c27-20(23-8-1-9-26-10-12-29-13-11-26)16-4-2-15(3-5-16)19-7-6-17(31-19)14-18-21(28)25-22(30)24-18/h2-7,14H,1,8-13H2,(H,23,27)(H2,24,25,28,30)/b18-14+
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| InChIKey |
JXFUPWPWSXMEHQ-NBVRZTHBSA-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