General Information of the Compound
| Compound ID |
CP0526733
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| Compound Name |
N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
CN(C)CCOc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C21H26N6O2/c1-14-11-15(2)27(25-14)21-23-19(13-20(24-21)22-16(3)28)17-7-6-8-18(12-17)29-10-9-26(4)5/h6-8,11-13H,9-10H2,1-5H3,(H,22,23,24,28)
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| InChIKey |
QDJLUTOVYOOCPC-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