General Information of the Compound
| Compound ID |
CP0358062
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| Compound Name |
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
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| Structure |
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| Formula |
C22H19FN6O
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| Molecular Weight |
402.433
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| Canonical SMILES |
COc1cnc2ccc(cc2c1)[C@H](C)c1nnc2c(F)cc(cn12)-c1cn(C)cn1
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| InChI |
InChI=1S/C22H19FN6O/c1-13(14-4-5-19-15(6-14)7-17(30-3)9-24-19)21-26-27-22-18(23)8-16(10-29(21)22)20-11-28(2)12-25-20/h4-13H,1-3H3/t13-/m0/s1
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| InChIKey |
DFJHJPHCKSSQKP-ZDUSSCGKSA-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