General Information of the Compound
| Compound ID |
CP0941389
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| Compound Name |
(2E,3E)-4-(3-chlorophenyl)but-3-en-2-one oxime
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| Structure |
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| Formula |
C10H10ClNO
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| Molecular Weight |
195.649
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| Canonical SMILES |
CC(/C=C/c1cccc(Cl)c1)=N\O
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| InChI |
InChI=1S/C10H10ClNO/c1-8(12-13)5-6-9-3-2-4-10(11)7-9/h2-7,13H,1H3/b6-5+,12-8+
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| InChIKey |
VVMWYPSTSXTRDL-DOQHAEMYSA-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