General Information of the Compound
| Compound ID |
CP0532097
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| Compound Name |
2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H32N4O5
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| Molecular Weight |
528.609
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C30H32N4O5/c1-34(20-21-11-7-5-8-12-21)30-32-19-24(29(35)31-15-16-39-23-13-9-6-10-14-23)27(33-30)22-17-25(36-2)28(38-4)26(18-22)37-3/h5-14,17-19H,15-16,20H2,1-4H3,(H,31,35)
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| InChIKey |
PPXZFMRUTAQVCT-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