General Information of the Compound
| Compound ID |
CP0519209
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| Compound Name |
US9249085, I(p)
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| Structure |
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| Formula |
C21H16F3NO4
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| Molecular Weight |
403.356
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| Canonical SMILES |
OC(=O)COc1ccc(F)c(NCc2cc(O)cc(c2)-c2cccc(F)c2)c1F
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| InChI |
InChI=1S/C21H16F3NO4/c22-15-3-1-2-13(8-15)14-6-12(7-16(26)9-14)10-25-21-17(23)4-5-18(20(21)24)29-11-19(27)28/h1-9,25-26H,10-11H2,(H,27,28)
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| InChIKey |
SCHLQILLTIRTCI-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