General Information of the Compound
| Compound ID |
CP0532098
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| Compound Name |
N-(2-phenoxyethyl)-2-[(2-phenylethyl)amino]-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H32N4O5
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| Molecular Weight |
528.609
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCCc2ccccc2)ncc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C30H32N4O5/c1-36-25-18-22(19-26(37-2)28(25)38-3)27-24(29(35)31-16-17-39-23-12-8-5-9-13-23)20-33-30(34-27)32-15-14-21-10-6-4-7-11-21/h4-13,18-20H,14-17H2,1-3H3,(H,31,35)(H,32,33,34)
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| InChIKey |
GDFKHFCBPOXZML-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