General Information of the Compound
| Compound ID |
CP0524435
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| Compound Name |
US8637501, 103
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| Structure |
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| Formula |
C25H24FN3O2
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| Molecular Weight |
417.484
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| Canonical SMILES |
Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O
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| InChI |
InChI=1S/C25H24FN3O2/c1-28-23-3-2-11-27-15-22(23)21-9-8-19(13-24(21)28)29-12-10-20(14-25(29)30)31-16-17-4-6-18(26)7-5-17/h4-10,12-14,27H,2-3,11,15-16H2,1H3
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| InChIKey |
MZNDSPKBXDSFJT-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