General Information of the Compound
| Compound ID |
CP0519212
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| Compound Name |
US9249085, I(al)
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| Structure |
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| Formula |
C25H26FNO4
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| Molecular Weight |
423.484
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| Canonical SMILES |
COc1c(C)cc(cc1CNc1c(C)ccc(OCC(O)=O)c1C)-c1cccc(F)c1
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| InChI |
InChI=1S/C25H26FNO4/c1-15-8-9-22(31-14-23(28)29)17(3)24(15)27-13-20-11-19(10-16(2)25(20)30-4)18-6-5-7-21(26)12-18/h5-12,27H,13-14H2,1-4H3,(H,28,29)
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| InChIKey |
HBMYILVYHNTQJZ-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