General Information of the Compound
| Compound ID |
CP0532092
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| Compound Name |
10-[(3-bromophenyl)amino]-2H,3H,4H-[1,4]dioxepino[2,3-g]quinoline-9-carbonitrile
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| Structure |
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| Formula |
C19H14BrN3O2
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| Molecular Weight |
396.244
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| Canonical SMILES |
Brc1cccc(Nc2c(cnc3cc4OCCCOc4cc23)C#N)c1
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| InChI |
InChI=1S/C19H14BrN3O2/c20-13-3-1-4-14(7-13)23-19-12(10-21)11-22-16-9-18-17(8-15(16)19)24-5-2-6-25-18/h1,3-4,7-9,11H,2,5-6H2,(H,22,23)
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| InChIKey |
WGCFPJONRQWILN-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