General Information of the Compound
| Compound ID |
CP0559817
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| Compound Name |
US9249085, I(ar)
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| Structure |
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| Formula |
C23H19F4NO3
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| Molecular Weight |
433.401
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| Canonical SMILES |
Cc1cc(cc(CNc2c(F)ccc(OCC(O)=O)c2F)c1C)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C23H19F4NO3/c1-12-5-14(15-7-17(24)9-18(25)8-15)6-16(13(12)2)10-28-23-19(26)3-4-20(22(23)27)31-11-21(29)30/h3-9,28H,10-11H2,1-2H3,(H,29,30)
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| InChIKey |
WUMRRDRVSMRMMS-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