General Information of the Compound
| Compound ID |
CP0483358
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| Compound Name |
2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
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| Structure |
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| Formula |
C17H23N7O3S2
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| Molecular Weight |
437.551
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| Canonical SMILES |
CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)
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| InChIKey |
MDVZXMPXLZBLCS-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
Protein ID: PT01446, Interleukin-8
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic