General Information of the Compound
| Compound ID |
CP0558967
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| Compound Name |
7-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C22H19N5O4
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| Molecular Weight |
417.425
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| Canonical SMILES |
COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3NC(=O)COc3c2)cc1OC
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| InChI |
InChI=1S/C22H19N5O4/c1-29-17-6-4-14(10-19(17)30-2)24-21-22-23-7-8-27(22)11-16(26-21)13-3-5-15-18(9-13)31-12-20(28)25-15/h3-11H,12H2,1-2H3,(H,24,26)(H,25,28)
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| InChIKey |
IVGJQHCNAWVBPA-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