General Information of the Compound
| Compound ID |
CP0093435
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| Compound Name |
US9422297, AAG145-161
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| Structure |
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| Formula |
C17H13FN4
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| Molecular Weight |
292.317
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| Canonical SMILES |
Nc1nc2Cc3ccccc3-c2c(Nc2cccc(F)c2)n1
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| InChI |
InChI=1S/C17H13FN4/c18-11-5-3-6-12(9-11)20-16-15-13-7-2-1-4-10(13)8-14(15)21-17(19)22-16/h1-7,9H,8H2,(H3,19,20,21,22)
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| InChIKey |
JJUMBPJQWGPNKX-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