General Information of the Compound
| Compound ID |
CP0347285
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| Compound Name |
2,3-dimethyl-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 |
C18H15N3O2S2
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| Molecular Weight |
369.471
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| Canonical SMILES |
CC1N(C)C(=O)c2ccc(cc12)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C18H15N3O2S2/c1-9-13-7-10(3-5-12(13)17(23)21(9)2)15-6-4-11(25-15)8-14-16(22)20-18(24)19-14/h3-9H,1-2H3,(H2,19,20,22,24)/b14-8+
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| InChIKey |
VLKCCKQSDNGREY-RIYZIHGNSA-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