General Information of the Compound
| Compound ID |
CP0086749
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| Compound Name |
5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)propyl]-[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 |
C23H20FN5O2
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| Molecular Weight |
417.444
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| Canonical SMILES |
CC[C@H](c1nnc2c(F)cc(cn12)-c1cc(C)no1)c1ccc2ncc(OC)cc2c1
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| InChI |
InChI=1S/C23H20FN5O2/c1-4-18(14-5-6-20-15(8-14)9-17(30-3)11-25-20)22-26-27-23-19(24)10-16(12-29(22)23)21-7-13(2)28-31-21/h5-12,18H,4H2,1-3H3/t18-/m0/s1
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| InChIKey |
HDXFRCJMFMUEJJ-SFHVURJKSA-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