General Information of the Compound
| Compound ID |
CP0540962
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| Compound Name |
US9255103, 54
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| Structure |
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| Formula |
C21H20FN3O2
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| Molecular Weight |
365.408
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| Canonical SMILES |
CC(Oc1ccccc1)c1cc2CN(CCn2n1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H20FN3O2/c1-15(27-19-5-3-2-4-6-19)20-13-18-14-24(11-12-25(18)23-20)21(26)16-7-9-17(22)10-8-16/h2-10,13,15H,11-12,14H2,1H3
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| InChIKey |
ALXDNMSKBLJSRY-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