General Information of the Compound
| Compound ID |
CP0364261
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| Compound Name |
2-[4-[2-ethyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
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| Structure |
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| Formula |
C27H19N5
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| Molecular Weight |
413.484
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| Canonical SMILES |
CCc1nc2cnc3ccc(cc3c2n1-c1ccc(CC#N)cc1)C#Cc1cccnc1
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| InChI |
InChI=1S/C27H19N5/c1-2-26-31-25-18-30-24-12-9-20(5-6-21-4-3-15-29-17-21)16-23(24)27(25)32(26)22-10-7-19(8-11-22)13-14-28/h3-4,7-12,15-18H,2,13H2,1H3
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| InChIKey |
PPMVOOTZFOABKA-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