General Information of the Compound
| Compound ID |
CP0136329
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| Compound Name |
N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C17H18N4O3S
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| Molecular Weight |
358.423
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| Canonical SMILES |
COCCCOc1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1
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| InChI |
InChI=1S/C17H18N4O3S/c1-11(22)19-17-21-14-5-4-12(10-15(14)25-17)13-6-7-18-16(20-13)24-9-3-8-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,19,21,22)
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| InChIKey |
VZQJNSKEKNJAOB-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