General Information of the Compound
| Compound ID |
CP0212254
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| Compound Name |
N-[6-[2-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
COc1ccc(COc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)cc1
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| InChI |
InChI=1S/C21H18N4O3S/c1-13(26)23-21-25-18-8-5-15(11-19(18)29-21)17-9-10-22-20(24-17)28-12-14-3-6-16(27-2)7-4-14/h3-11H,12H2,1-2H3,(H,23,25,26)
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| InChIKey |
YEGUMXWYMKIFLV-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