General Information of the Compound
| Compound ID |
CP0432663
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| Compound Name |
2-butyl-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 |
C20H19N3O2S2
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| Molecular Weight |
397.525
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| Canonical SMILES |
CCCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C20H19N3O2S2/c1-2-3-8-23-11-13-9-12(4-6-15(13)19(23)25)17-7-5-14(27-17)10-16-18(24)22-20(26)21-16/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,22,24,26)/b16-10+
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| InChIKey |
QCGLQBMYLHOTHP-MHWRWJLKSA-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