General Information of the Compound
| Compound ID |
CP0197896
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| Compound Name |
5-[8-fluoro-3-[(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole
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| Structure |
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| Formula |
C24H22FN5O3
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| Molecular Weight |
447.47
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| Canonical SMILES |
COCCOc1cnc2ccc(cc2c1)[C@H](C)c1nnc2c(F)cc(cn12)-c1cc(C)no1
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| InChI |
InChI=1S/C24H22FN5O3/c1-14-8-22(33-29-14)18-11-20(25)24-28-27-23(30(24)13-18)15(2)16-4-5-21-17(9-16)10-19(12-26-21)32-7-6-31-3/h4-5,8-13,15H,6-7H2,1-3H3/t15-/m0/s1
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| InChIKey |
SCRRRLBPWUHHER-HNNXBMFYSA-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