General Information of the Compound
| Compound ID |
CP0463881
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| Compound Name |
2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H28N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3-17,20H,2,18-19,21H2,1H3,(H,29,33)
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| InChIKey |
JQMJIQDOJHINRD-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