General Information of the Compound
| Compound ID |
CP0511330
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| Compound Name |
2-{[2-(3-methoxyphenyl)ethyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C31H34N4O6
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| Molecular Weight |
558.635
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| Canonical SMILES |
COc1cccc(CCNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C31H34N4O6/c1-37-24-12-8-9-21(17-24)13-14-33-31-34-20-25(30(36)32-15-16-41-23-10-6-5-7-11-23)28(35-31)22-18-26(38-2)29(40-4)27(19-22)39-3/h5-12,17-20H,13-16H2,1-4H3,(H,32,36)(H,33,34,35)
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| InChIKey |
NENQXGONNRBALC-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