General Information of the Compound
| Compound ID |
CP0556059
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| Compound Name |
US8933079, 4.16
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| Structure |
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| Formula |
C26H28BrN3O3
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| Molecular Weight |
510.432
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| Canonical SMILES |
Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
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| InChI |
InChI=1S/C26H28BrN3O3/c1-19-13-20(16-29-10-3-2-4-11-29)5-8-24(19)25(31)17-30-12-9-23(14-26(30)32)33-18-22-7-6-21(27)15-28-22/h5-9,12-15H,2-4,10-11,16-18H2,1H3
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| InChIKey |
GWNNRGKGVWBTPA-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