General Information of the Compound
| Compound ID |
CP0571081
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| Compound Name |
US8791272, 13.13
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| Structure |
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| Formula |
C24H28N2O3
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| Molecular Weight |
392.499
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| Canonical SMILES |
CCc1nn(Cc2ccc(OCc3cccc(C)c3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H28N2O3/c1-4-22-21(14-24(27)28)23(5-2)26(25-22)15-18-9-11-20(12-10-18)29-16-19-8-6-7-17(3)13-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,28)
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| InChIKey |
YQBFZQDCOAGGDW-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