General Information of the Compound
| Compound ID |
CP0404292
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| Compound Name |
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
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| Structure |
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| Formula |
C23H21FN6O4
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| Molecular Weight |
464.457
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| Canonical SMILES |
COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(cn34)-c3cc(C)no3)c(=O)c2c1
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| InChI |
InChI=1S/C23H21FN6O4/c1-13-8-20(34-28-13)15-9-18(24)22-27-26-21(30(22)12-15)14(2)29-5-4-19-17(23(29)31)10-16(11-25-19)33-7-6-32-3/h4-5,8-12,14H,6-7H2,1-3H3/t14-/m1/s1
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| InChIKey |
IASNQBJQLURUKC-CQSZACIVSA-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