General Information of the Compound
| Compound ID |
CP0511337
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| Compound Name |
N-(2-phenoxyethyl)-2-[(pyridin-2-ylmethyl)amino]-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H29N5O5
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| Molecular Weight |
515.57
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccn2)ncc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C28H29N5O5/c1-35-23-15-19(16-24(36-2)26(23)37-3)25-22(27(34)30-13-14-38-21-10-5-4-6-11-21)18-32-28(33-25)31-17-20-9-7-8-12-29-20/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,30,34)(H,31,32,33)
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| InChIKey |
BDDFGRUDUYYFFC-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