General Information of the Compound
| Compound ID |
CP0544997
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| Compound Name |
2-bromo-N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]benzamide
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| Structure |
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| Formula |
C25H21BrN2O5
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| Molecular Weight |
509.356
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| Canonical SMILES |
COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)c3ccccc3Br)cc2)c1
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| InChI |
InChI=1S/C25H21BrN2O5/c1-32-20-15-18(21(13-14-28(30)31)24(16-20)33-2)10-7-17-8-11-19(12-9-17)27-25(29)22-5-3-4-6-23(22)26/h3-16H,1-2H3,(H,27,29)/b10-7+,14-13+
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| InChIKey |
YDHOUBISSJWACC-CDITWBNYSA-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