General Information of the Compound
| Compound ID |
CP0968690
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| Compound Name |
2-(4-(4-(4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-enyl)piperidin-1-yl)acetic acid
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| Structure |
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| Formula |
C27H30FN3O3
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| Molecular Weight |
463.553
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C4CCN(CC(=O)O)CC4)CC3)cc12
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| InChI |
InChI=1S/C27H30FN3O3/c1-34-25-7-6-20(28)14-22(25)21-8-11-29-27-23(21)15-24(30-27)19-4-2-17(3-5-19)18-9-12-31(13-10-18)16-26(32)33/h4,6-8,11,14-15,17-18H,2-3,5,9-10,12-13,16H2,1H3,(H,29,30)(H,32,33)
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| InChIKey |
QMCUOTZYJAWGFD-UHFFFAOYSA-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