General Information of the Compound
| Compound ID |
CP0549677
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| Compound Name |
N,N-dimethyl-2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethanamine
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
CN(C)CCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C22H22N4O/c1-25(2)12-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-26(16-17)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3
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| InChIKey |
GZAWQUKOOKUFPH-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