General Information of the Compound
| Compound ID |
CP0155451
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| Compound Name |
5-(3,5-difluorophenyl)-3-[(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl]triazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C25H21F2N5O3
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| Molecular Weight |
477.471
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| Canonical SMILES |
COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(F)cc(F)c3)c(=O)c12
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| InChI |
InChI=1S/C25H21F2N5O3/c1-15(16-3-4-22-17(9-16)10-21(14-28-22)35-8-7-34-2)32-24-23(29-30-32)5-6-31(25(24)33)20-12-18(26)11-19(27)13-20/h3-6,9-15H,7-8H2,1-2H3/t15-/m0/s1
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| InChIKey |
NKKSQKKEWMSMOE-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