General Information of the Compound
| Compound ID |
CP0558416
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| Compound Name |
4-[[4-[cyclohexyl(methyl)amino]-5-ethylpyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C20H27N5O
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| Molecular Weight |
353.47
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| Canonical SMILES |
CCc1cnc(Nc2ccc(cc2)C(N)=O)nc1N(C)C1CCCCC1
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| InChI |
InChI=1S/C20H27N5O/c1-3-14-13-22-20(23-16-11-9-15(10-12-16)18(21)26)24-19(14)25(2)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H2,21,26)(H,22,23,24)
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| InChIKey |
WQJZGUODVAPUKD-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