General Information of the Compound
| Compound ID |
CP0572712
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| Compound Name |
3-methyl-1-[[5-(2-methyl-1,3-oxazol-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]amino]pyrrole-2,5-dione
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| Structure |
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| Formula |
C17H13N5O3S
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| Molecular Weight |
367.39
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| Canonical SMILES |
CC1=CC(=O)N(Nc2ncc(-c3coc(C)n3)c(n2)-c2cccs2)C1=O
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| InChI |
InChI=1S/C17H13N5O3S/c1-9-6-14(23)22(16(9)24)21-17-18-7-11(12-8-25-10(2)19-12)15(20-17)13-4-3-5-26-13/h3-8H,1-2H3,(H,18,20,21)
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| InChIKey |
RHBTWDFORLRVLM-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