General Information of the Compound
| Compound ID |
CP0561111
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| Compound Name |
US8822510, 18
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| Structure |
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| Formula |
C27H30FN3O4
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| Molecular Weight |
479.552
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(COCC3(CCCCC3)c3ccc(F)cc3)n2)C1
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| InChI |
InChI=1S/C27H30FN3O4/c28-23-10-8-22(9-11-23)27(12-2-1-3-13-27)18-34-17-24-29-25(30-35-24)20-6-4-19(5-7-20)14-31-15-21(16-31)26(32)33/h4-11,21H,1-3,12-18H2,(H,32,33)
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| InChIKey |
XGRZJLDBBJKJJL-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