General Information of the Compound
| Compound ID |
CP0512455
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| Compound Name |
4-(3-Bromophenylamino)-6,7-bis(methoxymethoxy)-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H18BrN3O4
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| Molecular Weight |
444.285
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| Canonical SMILES |
COCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCOC
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| InChI |
InChI=1S/C20H18BrN3O4/c1-25-11-27-18-7-16-17(8-19(18)28-12-26-2)23-10-13(9-22)20(16)24-15-5-3-4-14(21)6-15/h3-8,10H,11-12H2,1-2H3,(H,23,24)
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| InChIKey |
TUZMSVARIRHFNQ-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