General Information of the Compound
| Compound ID |
CP0478008
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| Compound Name |
N-(1,3-benzothiazol-2-yl)-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C18H18N4O2S3
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| Molecular Weight |
418.569
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| Canonical SMILES |
CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2CC(C)Sc2c1=O
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| InChI |
InChI=1S/C18H18N4O2S3/c1-3-22-16(24)15-12(8-10(2)26-15)20-18(22)25-9-14(23)21-17-19-11-6-4-5-7-13(11)27-17/h4-7,10H,3,8-9H2,1-2H3,(H,19,21,23)
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| InChIKey |
KKZLEXSDWASNTK-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT04787, Protein-serine O-palmitoleoyltransferase porcupine