General Information of the Compound
| Compound ID |
CP0428708
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| Compound Name |
(E)-3-(4-bromophenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C20H17BrO3
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| Molecular Weight |
385.257
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| Canonical SMILES |
CC1(C)Oc2ccc(C(=O)\C=C\c3ccc(Br)cc3)c(O)c2C=C1
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| InChI |
InChI=1S/C20H17BrO3/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,23H,1-2H3/b9-5+
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| InChIKey |
KFUSNEIJWGVXLC-WEVVVXLNSA-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