General Information of the Compound
| Compound ID |
CP0946272
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| Compound Name |
5-(2-Fluoro-benzyl)-4-piperidin-1-yl-2-pyridin-2-yl-pyrimidine
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| Structure |
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| Formula |
C21H21FN4
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| Molecular Weight |
348.425
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| Canonical SMILES |
Fc1ccccc1Cc1cnc(-c2ccccn2)nc1N1CCCCC1
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| InChI |
InChI=1S/C21H21FN4/c22-18-9-3-2-8-16(18)14-17-15-24-20(19-10-4-5-11-23-19)25-21(17)26-12-6-1-7-13-26/h2-5,8-11,15H,1,6-7,12-14H2
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| InChIKey |
BFWDWKGJEXYILS-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