General Information of the Compound
| Compound ID |
CP0491111
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| Compound Name |
US8802663, 8
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| Structure |
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| Formula |
C21H18F2N4O
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| Molecular Weight |
380.398
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| Canonical SMILES |
CC(C)Cn1cc(-c2nc(no2)-c2cc(F)ccc2F)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C21H18F2N4O/c1-13(2)11-27-12-17(19(25-27)14-6-4-3-5-7-14)21-24-20(26-28-21)16-10-15(22)8-9-18(16)23/h3-10,12-13H,11H2,1-2H3
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| InChIKey |
NABZTAHJRWFIRJ-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