General Information of the Compound
| Compound ID |
CP0552922
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| Compound Name |
4-[2-(5-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-2-one
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| Structure |
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| Formula |
C13H13ClN4O2S2
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| Molecular Weight |
356.86
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| Canonical SMILES |
Cc1sc2ncnc(SCC(=O)N3CCNC(=O)C3)c2c1Cl
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| InChI |
InChI=1S/C13H13ClN4O2S2/c1-7-11(14)10-12(16-6-17-13(10)22-7)21-5-9(20)18-3-2-15-8(19)4-18/h6H,2-5H2,1H3,(H,15,19)
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| InChIKey |
LXORPKHEMINEGK-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