General Information of the Compound
| Compound ID |
CP0502465
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| Compound Name |
2-{[(3-chlorophenyl)methyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H29ClN4O5
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| Molecular Weight |
549.027
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2cccc(Cl)c2)ncc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C29H29ClN4O5/c1-36-24-15-20(16-25(37-2)27(24)38-3)26-23(28(35)31-12-13-39-22-10-5-4-6-11-22)18-33-29(34-26)32-17-19-8-7-9-21(30)14-19/h4-11,14-16,18H,12-13,17H2,1-3H3,(H,31,35)(H,32,33,34)
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| InChIKey |
PPGJXQJJPCTCCH-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