General Information of the Compound
| Compound ID |
CP0876099
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| Compound Name |
4-(6-Amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)-phenyl]ethoxy}pyridin-3-yl)-1-methyl-1H-pyrazole-3-carbonitrile
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| Structure |
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| Formula |
C20H17FN8O
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| Molecular Weight |
404.409
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| Canonical SMILES |
C[C@@H](Oc1cc(-c2cn(C)nc2C#N)cnc1N)c1cc(F)ccc1-n1nccn1
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| InChI |
InChI=1S/C20H17FN8O/c1-12(15-8-14(21)3-4-18(15)29-25-5-6-26-29)30-19-7-13(10-24-20(19)23)16-11-28(2)27-17(16)9-22/h3-8,10-12H,1-2H3,(H2,23,24)/t12-/m1/s1
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| InChIKey |
BWIQZMZGKNAFFK-GFCCVEGCSA-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