General Information of the Compound
| Compound ID |
CP0257686
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| Compound Name |
US8680275, 11
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| Structure |
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| Formula |
C26H23N3O2
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| Molecular Weight |
409.489
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| Canonical SMILES |
O=C(N1CCC2CN(C2C1)c1nc2ccccc2o1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C26H23N3O2/c30-25(21-11-5-4-10-20(21)18-8-2-1-3-9-18)28-15-14-19-16-29(23(19)17-28)26-27-22-12-6-7-13-24(22)31-26/h1-13,19,23H,14-17H2
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| InChIKey |
YFDJIMJVVGFZJM-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