General Information of the Compound
| Compound ID |
CP0862489
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| Compound Name |
4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime
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| Structure |
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| Formula |
C11H12ClNO
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| Molecular Weight |
209.676
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| Canonical SMILES |
CC(=C\c1ccc(Cl)cc1)/C(C)=N/O
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| InChI |
InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+
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| InChIKey |
MHTJEUOFLVQMCL-NJHPPEEMSA-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1