General Information of the Compound
| Compound ID |
CP0231464
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| Compound Name |
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C14H10Cl2FN3O
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| Molecular Weight |
326.158
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| Canonical SMILES |
CC(Oc1cc(cnc1N)C#N)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C14H10Cl2FN3O/c1-7(12-9(15)2-3-10(17)13(12)16)21-11-4-8(5-18)6-20-14(11)19/h2-4,6-7H,1H3,(H2,19,20)
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| InChIKey |
VIGFRDNZWPHYHT-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