General Information of the Compound
| Compound ID |
CP0532095
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| Compound Name |
2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C31H34N4O5
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| Molecular Weight |
542.636
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| Canonical SMILES |
CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C31H34N4O5/c1-5-35(21-22-12-8-6-9-13-22)31-33-20-25(30(36)32-16-17-40-24-14-10-7-11-15-24)28(34-31)23-18-26(37-2)29(39-4)27(19-23)38-3/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,32,36)
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| InChIKey |
ZWERFNJHQYRXMR-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