General Information of the Compound
| Compound ID |
CP0508875
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| Compound Name |
N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C25H27FN4O
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| Molecular Weight |
418.516
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| Canonical SMILES |
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1F
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| InChI |
InChI=1S/C25H27FN4O/c1-18(2)29-13-15-30(16-14-29)24-11-10-21(17-22(24)26)28-25(31)20-8-6-19(7-9-20)23-5-3-4-12-27-23/h3-12,17-18H,13-16H2,1-2H3,(H,28,31)
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| InChIKey |
LGPADHPVOUDZNG-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