General Information of the Compound
| Compound ID |
CP0553975
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| Compound Name |
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide
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| Structure |
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| Formula |
C33H32FN7O2
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| Molecular Weight |
577.664
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)-c1cc(C)no1
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| InChI |
InChI=1S/C33H32FN7O2/c1-21-4-5-24(19-30(21)38-33-35-11-10-29(37-33)23-6-8-26(34)9-7-23)32(42)36-27-17-25(31-16-22(2)39-43-31)18-28(20-27)41-14-12-40(3)13-15-41/h4-11,16-20H,12-15H2,1-3H3,(H,36,42)(H,35,37,38)
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| InChIKey |
FNKRKFBRFHMPBO-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