General Information of the Compound
| Compound ID |
CP0432664
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| Compound Name |
N-(2-morpholin-4-ylethyl)-4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C21H22N4O3S2
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| Molecular Weight |
442.566
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| Canonical SMILES |
O=C(NCCN1CCOCC1)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C21H22N4O3S2/c26-19(22-7-8-25-9-11-28-12-10-25)15-3-1-14(2-4-15)18-6-5-16(30-18)13-17-20(27)24-21(29)23-17/h1-6,13H,7-12H2,(H,22,26)(H2,23,24,27,29)/b17-13+
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| InChIKey |
VQVWNSAKTCLDBG-GHRIWEEISA-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