General Information of the Compound
| Compound ID |
CP0517405
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| Compound Name |
2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H31N5O4
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| Molecular Weight |
513.598
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| Canonical SMILES |
CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(OC)nc1OC
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| InChI |
InChI=1S/C29H31N5O4/c1-4-34(20-21-11-7-5-8-12-21)29-31-19-24(27(35)30-17-18-38-22-13-9-6-10-14-22)26(33-29)23-15-16-25(36-2)32-28(23)37-3/h5-16,19H,4,17-18,20H2,1-3H3,(H,30,35)
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| InChIKey |
NSMIFZBHUSVSID-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