General Information of the Compound
| Compound ID |
CP0555327
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| Compound Name |
US8791272, 1.25
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4cc3C)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C26H25N3O3/c1-16-12-20-6-4-5-7-21(20)13-23(16)26(32)27-22-10-8-19(9-11-22)15-29-18(3)24(14-25(30)31)17(2)28-29/h4-13H,14-15H2,1-3H3,(H,27,32)(H,30,31)
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| InChIKey |
CIDULEOPTTVLMK-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