General Information of the Compound
| Compound ID |
CP0130748
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| Compound Name |
4-(cyclohexylamino)-2-[(2,5-dibromo-4-methylphenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H32Br2N6O3
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| Molecular Weight |
624.378
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| Canonical SMILES |
Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCCC3)n2)cc1Br
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| InChI |
InChI=1S/C25H32Br2N6O3/c1-16-12-21(27)17(13-20(16)26)14-29-24-30-15-19(22(32-24)31-18-6-3-2-4-7-18)23(34)28-8-5-9-33-10-11-36-25(33)35/h12-13,15,18H,2-11,14H2,1H3,(H,28,34)(H2,29,30,31,32)
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| InChIKey |
QHKXMFBRQDFRSF-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: PT01551, Casein kinase I isoform epsilon
Protein ID: PT02327, Peripheral plasma membrane protein CASK
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01182, Tyrosine-protein kinase Mer
Protein ID: PT01661, Tyrosine-protein kinase receptor TYRO3
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO