General Information of the Compound
| Compound ID |
CP0519306
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| Compound Name |
4-[[4-[(4-bromo-2-fluorophenyl)methoxy]pyrimidin-2-yl]amino]benzonitrile
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| Structure |
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| Formula |
C18H12BrFN4O
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| Molecular Weight |
399.223
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| Canonical SMILES |
Fc1cc(Br)ccc1COc1ccnc(Nc2ccc(cc2)C#N)n1
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| InChI |
InChI=1S/C18H12BrFN4O/c19-14-4-3-13(16(20)9-14)11-25-17-7-8-22-18(24-17)23-15-5-1-12(10-21)2-6-15/h1-9H,11H2,(H,22,23,24)
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| InChIKey |
MYWXYCHFGHQGHM-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