General Information of the Compound
| Compound ID |
CP0960753
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| Compound Name |
methyl 3-((2-chloro-4-cyanophenoxy)methyl)benzoate
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| Structure |
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| Formula |
C16H12ClNO3
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| Molecular Weight |
301.729
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| Canonical SMILES |
COC(=O)c1cccc(COc2ccc(C#N)cc2Cl)c1
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| InChI |
InChI=1S/C16H12ClNO3/c1-20-16(19)13-4-2-3-12(7-13)10-21-15-6-5-11(9-18)8-14(15)17/h2-8H,10H2,1H3
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| InChIKey |
PIIINWPOJQTSBO-UHFFFAOYSA-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