General Information of the Compound
| Compound ID |
CP0460346
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| Compound Name |
2-methyl-7-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C18H15N3O2S2
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| Molecular Weight |
369.471
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| Canonical SMILES |
CN1CCc2ccc(cc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C18H15N3O2S2/c1-21-7-6-10-2-3-11(8-13(10)17(21)23)15-5-4-12(25-15)9-14-16(22)20-18(24)19-14/h2-5,8-9H,6-7H2,1H3,(H2,19,20,22,24)/b14-9+
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| InChIKey |
WXYPDWGVOKDYRP-NTEUORMPSA-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