General Information of the Compound
| Compound ID |
CP0491272
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| Compound Name |
2-[3-oxo-6-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-1H-isoindol-2-yl]ethyl acetate
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| Structure |
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| Formula |
C20H17N3O4S2
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| Molecular Weight |
427.507
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| Canonical SMILES |
CC(=O)OCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C20H17N3O4S2/c1-11(24)27-7-6-23-10-13-8-12(2-4-15(13)19(23)26)17-5-3-14(29-17)9-16-18(25)22-20(28)21-16/h2-5,8-9H,6-7,10H2,1H3,(H2,21,22,25,28)/b16-9+
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| InChIKey |
HAVXAOUAJZQMMP-CXUHLZMHSA-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