General Information of the Compound
| Compound ID |
CP0511242
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| Compound Name |
2-[benzyl(methyl)amino]-4-(3-methoxyphenyl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
COc1cccc(c1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C28H28N4O3/c1-32(20-21-10-5-3-6-11-21)28-30-19-25(26(31-28)22-12-9-15-24(18-22)34-2)27(33)29-16-17-35-23-13-7-4-8-14-23/h3-15,18-19H,16-17,20H2,1-2H3,(H,29,33)
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| InChIKey |
UXUOKLNDJZQSCD-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