General Information of the Compound
| Compound ID |
CP0908288
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| Compound Name |
2-(3,4,5-Trimethoxyphenylamino)-6-(indanone-oxime-4-oxy)-pyrazine
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| Structure |
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| Formula |
C22H22N4O5
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| Molecular Weight |
422.441
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| Canonical SMILES |
COc1cc(Nc2cncc(Oc3cccc4c3CC/C4=N\O)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H22N4O5/c1-28-18-9-13(10-19(29-2)22(18)30-3)24-20-11-23-12-21(25-20)31-17-6-4-5-14-15(17)7-8-16(14)26-27/h4-6,9-12,27H,7-8H2,1-3H3,(H,24,25)/b26-16+
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| InChIKey |
HTLSUTKZPJNYTH-WGOQTCKBSA-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