General Information of the Compound
| Compound ID |
CP0503127
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| Compound Name |
4-(3-Bromophenylamino)-6,7-bis(2-methoxyethoxy)-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H22BrN3O4
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| Molecular Weight |
472.339
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| Canonical SMILES |
COCCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCCOC
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| InChI |
InChI=1S/C22H22BrN3O4/c1-27-6-8-29-20-11-18-19(12-21(20)30-9-7-28-2)25-14-15(13-24)22(18)26-17-5-3-4-16(23)10-17/h3-5,10-12,14H,6-9H2,1-2H3,(H,25,26)
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| InChIKey |
NVHCPPNJEXAXNA-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