General Information of the Compound
| Compound ID |
CP0965399
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| Compound Name |
(1s,4s)-4-(4-(5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dihydropyridin-1(2H)-yl)cyclohexanecarboxylic acid
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| Formula |
C26H27F2N3O3
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| Molecular Weight |
467.516
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| Canonical SMILES |
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@@H](C(=O)O)CC4)CC3)cc12
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| InChI |
InChI=1S/C26H27F2N3O3/c1-34-23-7-4-17(27)12-19(23)24-20-13-22(30-25(20)29-14-21(24)28)15-8-10-31(11-9-15)18-5-2-16(3-6-18)26(32)33/h4,7-8,12-14,16,18H,2-3,5-6,9-11H2,1H3,(H,29,30)(H,32,33)/t16-,18+
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| InChIKey |
RYPUWZOEFAAXRB-MAEOIBBWSA-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