General Information of the Compound
| Compound ID |
CP0380063
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| Compound Name |
3-[2-fluoro-4-[[3-[2-methyl-4-[2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethoxy]phenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C33H31FN4O8
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| Molecular Weight |
630.629
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| Canonical SMILES |
Cc1cc(OCCOCCNc2ccc([N+]([O-])=O)c3nonc23)ccc1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C33H31FN4O8/c1-21-17-25(44-16-15-43-14-13-35-29-10-11-30(38(41)42)33-32(29)36-46-37-33)8-9-27(21)24-4-2-3-22(18-24)20-45-26-7-5-23(28(34)19-26)6-12-31(39)40/h2-5,7-11,17-19,35H,6,12-16,20H2,1H3,(H,39,40)
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| InChIKey |
ODFZMHKCJNEZST-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