General Information of the Compound
| Compound ID |
CP0524732
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| Compound Name |
4-(2-Bromophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C18H14BrN3O2
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| Molecular Weight |
384.233
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC
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| InChI |
InChI=1S/C18H14BrN3O2/c1-23-16-7-12-15(8-17(16)24-2)21-10-11(9-20)18(12)22-14-6-4-3-5-13(14)19/h3-8,10H,1-2H3,(H,21,22)
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| InChIKey |
JNLAWKYAXVEZSA-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