General Information of the Compound
| Compound ID |
CP0543144
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| Compound Name |
CHEMBL3104899
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| Formula |
C15H13F2N3O2
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| Molecular Weight |
305.284
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| Canonical SMILES |
OCc1cc2nc(CCc3cccc(F)c3F)cc(O)n2n1
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| InChI |
InChI=1S/C15H13F2N3O2/c16-12-3-1-2-9(15(12)17)4-5-10-7-14(22)20-13(18-10)6-11(8-21)19-20/h1-3,6-7,21-22H,4-5,8H2
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| InChIKey |
BNAHAPLJMUFCRY-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