General Information of the Compound
| Compound ID |
CP0459791
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| Compound Name |
(E)-1-[4-amino-3-(4-fluorophenyl)phenyl]-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C22H17BrFNO3
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| Molecular Weight |
442.284
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)cc(Br)c1O
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| InChI |
InChI=1S/C22H17BrFNO3/c1-28-21-11-13(10-18(23)22(21)27)2-9-20(26)15-5-8-19(25)17(12-15)14-3-6-16(24)7-4-14/h2-12,27H,25H2,1H3/b9-2+
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| InChIKey |
LRAPGTFWAPOSNQ-XNWCZRBMSA-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