General Information of the Compound
| Compound ID |
CP0424815
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| Compound Name |
3-[2-fluoro-4-[2-[3-[2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethoxy]phenyl]ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H23FN4O7
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| Molecular Weight |
534.5
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1F)C#Cc1cccc(OCCOCCNc2ccc([N+]([O-])=O)c3nonc23)c1
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| InChI |
InChI=1S/C27H23FN4O7/c28-22-17-19(6-7-20(22)8-11-25(33)34)5-4-18-2-1-3-21(16-18)38-15-14-37-13-12-29-23-9-10-24(32(35)36)27-26(23)30-39-31-27/h1-3,6-7,9-10,16-17,29H,8,11-15H2,(H,33,34)
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| InChIKey |
KOUPUGUYUJVULR-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