General Information of the Compound
| Compound ID |
CP0319971
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| Compound Name |
2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-ylamino)-6-(3-acetamidophenyl)pyrazine
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| Structure |
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| Formula |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCCOc3c2)n1
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| InChI |
InChI=1S/C20H18N4O3/c1-13(25)22-15-4-2-3-14(9-15)17-11-21-12-20(24-17)23-16-5-6-18-19(10-16)27-8-7-26-18/h2-6,9-12H,7-8H2,1H3,(H,22,25)(H,23,24)
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| InChIKey |
TXTKXFOMRHZRLS-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