General Information of the Compound
| Compound ID |
CP0481394
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| Compound Name |
1-[4-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)phenyl]ethan-1-one
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| Structure |
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| Formula |
C21H21N3O5
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| Molecular Weight |
395.415
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| Canonical SMILES |
COc1cc(Nc2cncc(Oc3ccc(cc3)C(C)=O)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C21H21N3O5/c1-13(25)14-5-7-16(8-6-14)29-20-12-22-11-19(24-20)23-15-9-17(26-2)21(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24)
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| InChIKey |
XUWADPNJQFVSNJ-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