General Information of the Compound
| Compound ID |
CP0549652
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| Compound Name |
1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(cc2)C(C)=O)cc1
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| InChI |
InChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)20-14-21(25-22(24-20)28-3)23-13-12-16-4-10-19(27-2)11-5-16/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
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| InChIKey |
KVUBQMZZSUGHGH-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