General Information of the Compound
| Compound ID |
CP0914334
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| Compound Name |
(1r,4r)-4-(4-(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 |
C26H28FN3O3
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| Molecular Weight |
449.526
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN([C@H]4CC[C@H](C(=O)O)CC4)CC3)cc12
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| InChI |
InChI=1S/C26H28FN3O3/c1-33-24-7-4-18(27)14-21(24)20-8-11-28-25-22(20)15-23(29-25)16-9-12-30(13-10-16)19-5-2-17(3-6-19)26(31)32/h4,7-9,11,14-15,17,19H,2-3,5-6,10,12-13H2,1H3,(H,28,29)(H,31,32)/t17-,19-
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| InChIKey |
JQQQJMZBOAYKKR-UAPYVXQJSA-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