General Information of the Compound
| Compound ID |
CP0269849
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| Compound Name |
2-[4-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
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| Structure |
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| Formula |
C25H15N5
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| Molecular Weight |
385.43
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| Canonical SMILES |
N#CCc1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)C#Cc1cccnc1
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| InChI |
InChI=1S/C25H15N5/c26-12-11-18-5-8-21(9-6-18)30-17-29-24-16-28-23-10-7-19(14-22(23)25(24)30)3-4-20-2-1-13-27-15-20/h1-2,5-10,13-17H,11H2
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| InChIKey |
MBIMERRBQGQJIO-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