General Information of the Compound
| Compound ID |
CP0486782
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| Compound Name |
5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-2-(3-piperidin-1-ylpropyl)-3H-isoindol-1-one
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| Structure |
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| Formula |
C24H26N4O2S2
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| Molecular Weight |
466.632
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)N(CCCN3CCCCC3)Cc2c1
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| InChI |
InChI=1S/C24H26N4O2S2/c29-22-20(25-24(31)26-22)14-18-6-8-21(32-18)16-5-7-19-17(13-16)15-28(23(19)30)12-4-11-27-9-2-1-3-10-27/h5-8,13-14H,1-4,9-12,15H2,(H2,25,26,29,31)/b20-14+
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| InChIKey |
MSXSYWCHZDISNK-XSFVSMFZSA-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