General Information of the Compound
| Compound ID |
CP0172465
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| Compound Name |
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C22H22N8
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| Molecular Weight |
398.474
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(Nc2cnccn2)cc(n1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C22H22N8/c1-15-11-16(2)30(28-15)22-26-19(25-20-13-23-8-9-24-20)12-21(27-22)29-10-7-17-5-3-4-6-18(17)14-29/h3-6,8-9,11-13H,7,10,14H2,1-2H3,(H,24,25,26,27)
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| InChIKey |
CRGTXSAUQFYFSM-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