General Information of the Compound
| Compound ID |
CP0511336
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| Compound Name |
2-(benzylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H30N4O5
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| Molecular Weight |
514.582
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2)ncc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C29H30N4O5/c1-35-24-16-21(17-25(36-2)27(24)37-3)26-23(28(34)30-14-15-38-22-12-8-5-9-13-22)19-32-29(33-26)31-18-20-10-6-4-7-11-20/h4-13,16-17,19H,14-15,18H2,1-3H3,(H,30,34)(H,31,32,33)
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| InChIKey |
KIUIPBXOOFZATE-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