General Information of the Compound
| Compound ID |
CP0960199
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| Compound Name |
3-(4-bromophenyl)-2-cyanoacrylic acid
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| Structure |
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| Formula |
C10H6BrNO2
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| Molecular Weight |
252.067
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| Canonical SMILES |
N#C/C(=C\c1ccc(Br)cc1)C(=O)O
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| InChI |
InChI=1S/C10H6BrNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
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| InChIKey |
REWONLOPJHWIMK-VMPITWQZSA-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