General Information of the Compound
| Compound ID |
CP0511832
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| Compound Name |
2-[(3Z)-3-[(3-bromophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid
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| Formula |
C19H14BrFO2
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| Molecular Weight |
373.221
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| Canonical SMILES |
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1cccc(Br)c1
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| InChI |
InChI=1S/C19H14BrFO2/c1-11-16(8-12-3-2-4-13(20)7-12)15-6-5-14(21)9-18(15)17(11)10-19(22)23/h2-9H,10H2,1H3,(H,22,23)/b16-8-
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| InChIKey |
UPBADKIRCRGVGQ-PXNMLYILSA-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