General Information of the Compound
| Compound ID |
CP0517401
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| Compound Name |
2-{[(4-methoxyphenyl)methyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H32N4O6
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| Molecular Weight |
544.608
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| Canonical SMILES |
COc1ccc(CNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
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| InChI |
InChI=1S/C30H32N4O6/c1-36-22-12-10-20(11-13-22)18-32-30-33-19-24(29(35)31-14-15-40-23-8-6-5-7-9-23)27(34-30)21-16-25(37-2)28(39-4)26(17-21)38-3/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,31,35)(H,32,33,34)
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| InChIKey |
CLINIMPOUCLOTA-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