General Information of the Compound
| Compound ID |
CP0577727
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| Compound Name |
US9249085, I(z)
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| Structure |
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| Formula |
C22H17F3N2O4
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| Molecular Weight |
430.382
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| Canonical SMILES |
NC(=O)c1cc(CNc2c(F)ccc(OCC(O)=O)c2F)cc(c1)-c1cccc(F)c1
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| InChI |
InChI=1S/C22H17F3N2O4/c23-16-3-1-2-13(9-16)14-6-12(7-15(8-14)22(26)30)10-27-21-17(24)4-5-18(20(21)25)31-11-19(28)29/h1-9,27H,10-11H2,(H2,26,30)(H,28,29)
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| InChIKey |
CTFFKZMABVAAPE-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