General Information of the Compound
| Compound ID |
CP0542812
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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)-N-isopropylacetamide
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| Structure |
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| Formula |
C25H31FN6O
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| Molecular Weight |
450.562
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| Canonical SMILES |
CC(C)NC(=O)Cc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
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| InChI |
InChI=1S/C25H31FN6O/c1-15(2)30-23(33)12-22-27-13-20(19-5-6-21(26)16(3)11-19)25(31-22)32-9-7-18(8-10-32)24-17(4)28-14-29-24/h5-6,11,13-15,18H,7-10,12H2,1-4H3,(H,28,29)(H,30,33)
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| InChIKey |
LSNWZZMYCNOALY-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