General Information of the Compound
| Compound ID |
CP0574089
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| Compound Name |
US9278960, 3-40
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| Structure |
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| Formula |
C28H23FN4O
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| Molecular Weight |
450.517
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CCC3)cc2n1
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| InChI |
InChI=1S/C28H23FN4O/c29-20-11-9-18(10-12-20)22-15-25(27(30)34)31-24-14-17(8-13-21(22)24)16-33-26-7-2-1-6-23(26)32-28(33)19-4-3-5-19/h1-2,6-15,19H,3-5,16H2,(H2,30,34)
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| InChIKey |
RABJVACKXRTLFM-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