General Information of the Compound
| Compound ID |
CP0190435
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| Compound Name |
6-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C17H13N3O2S2
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| Molecular Weight |
355.444
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)NCCc2c1
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| InChI |
InChI=1S/C17H13N3O2S2/c21-15-12-3-1-10(7-9(12)5-6-18-15)14-4-2-11(24-14)8-13-16(22)20-17(23)19-13/h1-4,7-8H,5-6H2,(H,18,21)(H2,19,20,22,23)/b13-8+
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| InChIKey |
KARLPBXTDWJLAV-MDWZMJQESA-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