General Information of the Compound
| Compound ID |
CP0549649
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| Compound Name |
ethyl 2-chloro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoate
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| Structure |
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| Formula |
C23H24ClN3O4
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| Molecular Weight |
441.915
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| Canonical SMILES |
CCOC(=O)c1cc(ccc1Cl)-c1cc(NCCc2ccc(OC)cc2)nc(OC)n1
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| InChI |
InChI=1S/C23H24ClN3O4/c1-4-31-22(28)18-13-16(7-10-19(18)24)20-14-21(27-23(26-20)30-3)25-12-11-15-5-8-17(29-2)9-6-15/h5-10,13-14H,4,11-12H2,1-3H3,(H,25,26,27)
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| InChIKey |
ZVPOVBZPJYEEGF-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