General Information of the Compound
| Compound ID |
CP0564160
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| Compound Name |
2-[4-[[3-[2,6-dimethyl-4-(4-nitrooxybutoxy)phenyl]phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C27H28FNO8
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| Molecular Weight |
513.518
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| Canonical SMILES |
Cc1cc(OCCCCO[N+]([O-])=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C27H28FNO8/c1-18-12-23(34-10-3-4-11-37-29(32)33)13-19(2)27(18)21-7-5-6-20(14-21)16-35-22-8-9-25(24(28)15-22)36-17-26(30)31/h5-9,12-15H,3-4,10-11,16-17H2,1-2H3,(H,30,31)
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| InChIKey |
VMCIAAWYJHSJFW-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