General Information of the Compound
| Compound ID |
CP0466973
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| Compound Name |
5-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-3-yl]-2,3-dihydroisoindol-1-one
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| Structure |
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| Formula |
C16H11N3O2S2
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| Molecular Weight |
341.417
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| Canonical SMILES |
O=C1NC(=S)N\C1=C/c1cc(cs1)-c1ccc2C(=O)NCc2c1
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| InChI |
InChI=1S/C16H11N3O2S2/c20-14-12-2-1-8(3-9(12)6-17-14)10-4-11(23-7-10)5-13-15(21)19-16(22)18-13/h1-5,7H,6H2,(H,17,20)(H2,18,19,21,22)/b13-5-
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| InChIKey |
AMTZZDGWXSGTKT-ACAGNQJTSA-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