General Information of the Compound
| Compound ID |
CP0517508
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| Compound Name |
(E)-3-(3-bromophenyl)-1-[3-(3-fluorophenyl)phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C21H14BrFO
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| Molecular Weight |
381.244
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| Canonical SMILES |
Fc1cccc(c1)-c1cccc(c1)C(=O)\C=C\c1cccc(Br)c1
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| InChI |
InChI=1S/C21H14BrFO/c22-19-8-1-4-15(12-19)10-11-21(24)18-7-2-5-16(13-18)17-6-3-9-20(23)14-17/h1-14H/b11-10+
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| InChIKey |
SMEBACYFJVYSOY-ZHACJKMWSA-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