General Information of the Compound
| Compound ID |
CP0526608
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| Compound Name |
2-(5-(4-fluoro-3-methylphenyl)-4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidin-2-yl)acetonitrile
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| Structure |
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| Formula |
C22H23FN6
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| Molecular Weight |
390.466
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| Canonical SMILES |
Cc1nc[nH]c1C1CCN(CC1)c1nc(CC#N)ncc1-c1ccc(F)c(C)c1
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| InChI |
InChI=1S/C22H23FN6/c1-14-11-17(3-4-19(14)23)18-12-25-20(5-8-24)28-22(18)29-9-6-16(7-10-29)21-15(2)26-13-27-21/h3-4,11-13,16H,5-7,9-10H2,1-2H3,(H,26,27)
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| InChIKey |
JALZOHCTXJCEQU-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