General Information of the Compound
| Compound ID |
CP0463804
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| Compound Name |
2-[benzyl(methyl)amino]-4-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H30N4O4
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| Molecular Weight |
498.583
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| Canonical SMILES |
COc1cc(OC)cc(c1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C29H30N4O4/c1-33(20-21-10-6-4-7-11-21)29-31-19-26(28(34)30-14-15-37-23-12-8-5-9-13-23)27(32-29)22-16-24(35-2)18-25(17-22)36-3/h4-13,16-19H,14-15,20H2,1-3H3,(H,30,34)
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| InChIKey |
GIXFYQXHAQNYQI-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