General Information of the Compound
| Compound ID |
CP0556467
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| Compound Name |
US8933079, 4.17
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| Structure |
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| Formula |
C25H28BrN3O3
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| Molecular Weight |
498.421
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| Canonical SMILES |
CC(C)N(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C25H28BrN3O3/c1-17(2)28(4)14-19-5-8-23(18(3)11-19)24(30)15-29-10-9-22(12-25(29)31)32-16-21-7-6-20(26)13-27-21/h5-13,17H,14-16H2,1-4H3
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| InChIKey |
RIRJROLCYYXILY-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