General Information of the Compound
| Compound ID |
CP0491879
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| Compound Name |
2,6-Disubstituted Pyrazine, 61
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| Structure |
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| Formula |
C22H21N3O5
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| Molecular Weight |
407.426
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| Canonical SMILES |
COc1cc(Nc2cncc(Oc3ccc4CCC(=O)c4c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H21N3O5/c1-27-18-8-14(9-19(28-2)22(18)29-3)24-20-11-23-12-21(25-20)30-15-6-4-13-5-7-17(26)16(13)10-15/h4,6,8-12H,5,7H2,1-3H3,(H,24,25)
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| InChIKey |
RQKAIIPTCFEPGF-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