General Information of the Compound
| Compound ID |
CP0489758
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| Compound Name |
4-(3-Bromophenylamino)-6,7-dihydroxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C16H10BrN3O2
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| Molecular Weight |
356.179
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| Canonical SMILES |
Oc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1O
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| InChI |
InChI=1S/C16H10BrN3O2/c17-10-2-1-3-11(4-10)20-16-9(7-18)8-19-13-6-15(22)14(21)5-12(13)16/h1-6,8,21-22H,(H,19,20)
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| InChIKey |
UMAUXDSUHUAKMF-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