General Information of the Compound
| Compound ID |
CP0946271
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| Compound Name |
5-(2-Fluoro-benzyl)-4-(4-methyl-piperazin-1-yl)-2-pyridin-2-yl-pyrimidine
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| Structure |
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| Formula |
C21H22FN5
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| Molecular Weight |
363.44
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| Canonical SMILES |
CN1CCN(c2nc(-c3ccccn3)ncc2Cc2ccccc2F)CC1
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| InChI |
InChI=1S/C21H22FN5/c1-26-10-12-27(13-11-26)21-17(14-16-6-2-3-7-18(16)22)15-24-20(25-21)19-8-4-5-9-23-19/h2-9,15H,10-14H2,1H3
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| InChIKey |
YLANGMBYIWXMGD-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