General Information of the Compound
| Compound ID |
CP0575949
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| Compound Name |
US8629158, 27
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| Structure |
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
CC(=O)N1C2CCC1c1c(C2)n(C)c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C28H27N3O3/c1-18(32)31-21-9-11-24(31)28-23-10-8-20(14-25(23)29(2)26(28)15-21)30-13-12-22(16-27(30)33)34-17-19-6-4-3-5-7-19/h3-8,10,12-14,16,21,24H,9,11,15,17H2,1-2H3
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| InChIKey |
OAEBYVAQJZDOEE-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