General Information of the Compound
| Compound ID |
CP0463880
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| Compound Name |
N-(2-phenoxyethyl)-2-{[2-(pyridin-3-yl)ethyl]amino}-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCCc2cccnc2)ncc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C29H31N5O5/c1-36-24-16-21(17-25(37-2)27(24)38-3)26-23(28(35)31-14-15-39-22-9-5-4-6-10-22)19-33-29(34-26)32-13-11-20-8-7-12-30-18-20/h4-10,12,16-19H,11,13-15H2,1-3H3,(H,31,35)(H,32,33,34)
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| InChIKey |
GAWPWWPXSMCQKZ-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