General Information of the Compound
| Compound ID |
CP0366128
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| Compound Name |
2-(3-Chloro-4-fluorobenzylamino)-6-(3-acetamidophenyl)-pyrazine
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| Structure |
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| Formula |
C19H16ClFN4O
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| Molecular Weight |
370.815
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1cncc(NCc2ccc(F)c(Cl)c2)n1
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| InChI |
InChI=1S/C19H16ClFN4O/c1-12(26)24-15-4-2-3-14(8-15)18-10-22-11-19(25-18)23-9-13-5-6-17(21)16(20)7-13/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26)
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| InChIKey |
DXCYGLXVGWPKEI-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