General Information of the Compound
| Compound ID |
CP0379831
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| Compound Name |
US9278960, 7-24
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| Structure |
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| Formula |
C24H19F5N4O2
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| Molecular Weight |
490.432
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| Canonical SMILES |
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F
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| InChI |
InChI=1S/C24H19F5N4O2/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34)
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| InChIKey |
QESHMODRPYVTIK-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