General Information of the Compound
| Compound ID |
CP0906641
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| Compound Name |
2-(6'-Amino-5'-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)-phenyl]ethoxy}-2-methyl-3,3'-bipyridin-6-yl)propan-2-ol
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| Structure |
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| Formula |
C24H25FN6O2
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| Molecular Weight |
448.502
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| Canonical SMILES |
Cc1nc(C(C)(C)O)ccc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
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| InChI |
InChI=1S/C24H25FN6O2/c1-14-18(6-8-22(30-14)24(3,4)32)16-11-21(23(26)27-13-16)33-15(2)19-12-17(25)5-7-20(19)31-28-9-10-29-31/h5-13,15,32H,1-4H3,(H2,26,27)/t15-/m1/s1
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| InChIKey |
LYBHDMDZAIWNRX-OAHLLOKOSA-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