General Information of the Compound
| Compound ID |
CP0517933
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| Compound Name |
US8618299, 7
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| Structure |
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| Formula |
C27H27FN4O2
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| Molecular Weight |
458.537
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| Canonical SMILES |
Cn1c2C3CCCCN3CCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C27H27FN4O2/c1-30-25-14-20(7-8-22(25)23-10-12-31-11-3-2-4-24(31)27(23)30)32-13-9-21(15-26(32)33)34-17-19-6-5-18(28)16-29-19/h5-9,13-16,24H,2-4,10-12,17H2,1H3
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| InChIKey |
OWOBLIBIKAKYHK-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