General Information of the Compound
| Compound ID |
CP0504763
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone
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| Structure |
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| Formula |
C16H11F3O3
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| Molecular Weight |
308.255
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccccc2C(F)(F)F)cc1O
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| InChI |
InChI=1S/C16H11F3O3/c17-16(18,19)12-4-2-1-3-11(12)13(20)7-5-10-6-8-14(21)15(22)9-10/h1-9,21-22H/b7-5+
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| InChIKey |
TVNCZBWVGGYPTK-FNORWQNLSA-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