General Information of the Compound
| Compound ID |
CP0420309
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| Compound Name |
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide
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| Structure |
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| Formula |
C32H30FN7O2
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| Molecular Weight |
563.637
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)N1CCOCC1
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| InChI |
InChI=1S/C32H30FN7O2/c1-21-3-4-24(15-30(21)38-32-34-10-9-29(37-32)23-5-7-25(33)8-6-23)31(41)36-26-16-27(39-11-13-42-14-12-39)18-28(17-26)40-19-22(2)35-20-40/h3-10,15-20H,11-14H2,1-2H3,(H,36,41)(H,34,37,38)
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| InChIKey |
OEIRBDCRIGNXFE-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