General Information of the Compound
| Compound ID |
CP0175608
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| Compound Name |
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C21H21N7S
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| Molecular Weight |
403.515
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(Nc2nccs2)cc(n1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H21N7S/c1-14-11-15(2)28(26-14)20-23-18(24-21-22-8-10-29-21)12-19(25-20)27-9-7-16-5-3-4-6-17(16)13-27/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,22,23,24,25)
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| InChIKey |
OQMYLASDAPUQRT-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