General Information of the Compound
| Compound ID |
CP0486437
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| Compound Name |
2,6-difluoro-4-[2-(3-fluoroazetidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C18H11F3N4O
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| Molecular Weight |
356.307
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| Canonical SMILES |
FC1CN(C1)C(=O)c1cc2cccnc2n1-c1cc(F)c(C#N)c(F)c1
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| InChI |
InChI=1S/C18H11F3N4O/c19-11-8-24(9-11)18(26)16-4-10-2-1-3-23-17(10)25(16)12-5-14(20)13(7-22)15(21)6-12/h1-6,11H,8-9H2
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| InChIKey |
AAKVHLYDKVWMQG-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