General Information of the Compound
| Compound ID |
CP0519211
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| Compound Name |
US9249085, I(s)
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| Structure |
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| Formula |
C21H14F5NO3
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| Molecular Weight |
423.337
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| Canonical SMILES |
OC(=O)COc1ccc(F)c(NCc2c(F)ccc(c2F)-c2cccc(F)c2)c1F
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| InChI |
InChI=1S/C21H14F5NO3/c22-12-3-1-2-11(8-12)13-4-5-15(23)14(19(13)25)9-27-21-16(24)6-7-17(20(21)26)30-10-18(28)29/h1-8,27H,9-10H2,(H,28,29)
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| InChIKey |
CTGLXZFBGOVYCN-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