General Information of the Compound
| Compound ID |
CP0114881
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| Compound Name |
4-(azetidin-1-yl)-7-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C17H15N5
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| Molecular Weight |
289.342
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
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| InChI |
InChI=1S/C17H15N5/c1-21-11-14(10-20-21)12-3-4-15-16(7-12)19-9-13(8-18)17(15)22-5-2-6-22/h3-4,7,9-11H,2,5-6H2,1H3
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| InChIKey |
RFRBHBIGFBVYHA-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