General Information of the Compound
| Compound ID |
CP0433101
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| Compound Name |
2-[3-(dimethylamino)propyl]-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 |
C21H22N4O2S2
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| Molecular Weight |
426.567
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| Canonical SMILES |
CN(C)CCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C21H22N4O2S2/c1-24(2)8-3-9-25-12-14-10-13(4-6-16(14)20(25)27)18-7-5-15(29-18)11-17-19(26)23-21(28)22-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,22,23,26,28)/b17-11+
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| InChIKey |
GVSPPHLDEBXYQU-GZTJUZNOSA-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