General Information of the Compound
| Compound ID |
CP0857692
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| Compound Name |
5-(3-chlorophenyl)-3,3-dimethyl-2,3-dihydro-1H-inden-1-one oxime
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| Structure |
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| Formula |
C17H16ClNO
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| Molecular Weight |
285.774
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| Canonical SMILES |
CC1(C)C/C(=N\O)c2ccc(-c3cccc(Cl)c3)cc21
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| InChI |
InChI=1S/C17H16ClNO/c1-17(2)10-16(19-20)14-7-6-12(9-15(14)17)11-4-3-5-13(18)8-11/h3-9,20H,10H2,1-2H3/b19-16+
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| InChIKey |
SZTKJQVTAVDNNQ-KNTRCKAVSA-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