General Information of the Compound
| Compound ID |
CP0553500
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| Compound Name |
3-(4-fluorophenyl)-N-[4-[6-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyrimidin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C35H40FN9O5
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| Molecular Weight |
685.761
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C35H40FN9O5/c1-23(2)44-21-29(33(47)45(35(44)49)27-8-4-24(36)5-9-27)32(46)39-25-6-10-28(11-7-25)50-31-20-30(37-22-38-31)40-34(48)43-14-12-26(13-15-43)42-18-16-41(3)17-19-42/h4-11,20-23,26H,12-19H2,1-3H3,(H,39,46)(H,37,38,40,48)
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| InChIKey |
QPIHEOATRHIZAP-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
Protein ID: PT01182, Tyrosine-protein kinase Mer
Protein ID: PT07205, Tyrosine-protein kinase Mer
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO
Protein ID: PT07477, Tyrosine-protein kinase receptor UFO