General Information of the Compound
| Compound ID |
CP0194357
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| Compound Name |
6-[difluoro-(8-fluoro-6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]quinoline
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| Structure |
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| Formula |
C21H12F3N5
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| Molecular Weight |
391.356
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| Canonical SMILES |
Fc1cc(cn2c(nnc12)C(F)(F)c1ccc2ncccc2c1)-c1ccccn1
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| InChI |
InChI=1S/C21H12F3N5/c22-16-11-14(17-5-1-2-8-25-17)12-29-19(16)27-28-20(29)21(23,24)15-6-7-18-13(10-15)4-3-9-26-18/h1-12H
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| InChIKey |
FNHHDCYFEVVVAX-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