General Information of the Compound
| Compound ID |
CP0460345
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| Compound Name |
2-(3-hydroxypropyl)-5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-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 |
OCCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C19H17N3O3S2/c23-7-1-6-22-10-12-8-11(2-4-14(12)18(22)25)16-5-3-13(27-16)9-15-17(24)21-19(26)20-15/h2-5,8-9,23H,1,6-7,10H2,(H2,20,21,24,26)/b15-9+
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| InChIKey |
FAHSYOLAZVYRKH-OQLLNIDSSA-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