General Information of the Compound
| Compound ID |
CP0176556
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| Compound Name |
N-[4-amino-5-[[5-(2-hydroxyethyl)-4-methylthiophen-3-yl]methyl]pyrimidin-2-yl]acetamide
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| Structure |
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| Formula |
C14H18N4O2S
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| Molecular Weight |
306.391
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| Canonical SMILES |
CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1
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| InChI |
InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)
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| InChIKey |
ICBBIEGXLGPMJC-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