General Information of the Compound
| Compound ID |
CP0566409
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| Compound Name |
US9249085, I(t)
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| Structure |
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| Formula |
C23H20F3NO4
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| Molecular Weight |
431.41
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| Canonical SMILES |
COc1c(C)cc(cc1CNc1c(F)ccc(OCC(O)=O)c1F)-c1cccc(F)c1
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| InChI |
InChI=1S/C23H20F3NO4/c1-13-8-15(14-4-3-5-17(24)10-14)9-16(23(13)30-2)11-27-22-18(25)6-7-19(21(22)26)31-12-20(28)29/h3-10,27H,11-12H2,1-2H3,(H,28,29)
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| InChIKey |
KBGVKGXUHURIMT-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