General Information of the Compound
| Compound ID |
CP0561725
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| Compound Name |
US8791268, 20
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| Structure |
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| Formula |
C22H25Br2F3N4O
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| Molecular Weight |
578.271
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(Br)c(N)c(Br)c1
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| InChI |
InChI=1S/C22H25Br2F3N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
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| InChIKey |
JXJDALPXMSZDTE-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