General Information of the Compound
| Compound ID |
CP0437797
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| Compound Name |
4-[2-(5-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1-ethylpiperazin-2-one
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| Structure |
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| Formula |
C15H17ClN4O2S2
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| Molecular Weight |
384.914
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| Canonical SMILES |
CCN1CCN(CC1=O)C(=O)CSc1ncnc2sc(C)c(Cl)c12
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| InChI |
InChI=1S/C15H17ClN4O2S2/c1-3-19-4-5-20(6-10(19)21)11(22)7-23-14-12-13(16)9(2)24-15(12)18-8-17-14/h8H,3-7H2,1-2H3
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| InChIKey |
YRYKAUGKDJEGOF-UHFFFAOYSA-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