General Information of the Compound
| Compound ID |
CP0391301
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| Compound Name |
(3,3-difluoroazetidin-1-yl)-[4-[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-yl]phenyl]methanone
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| Structure |
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| Formula |
C29H30F2N4O2
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| Molecular Weight |
504.581
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)-c1ccc(cc1)C(=O)N1CC(F)(F)C1
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| InChI |
InChI=1S/C29H30F2N4O2/c1-2-19-15-32-28(33-16-19)34-11-9-21(10-12-34)26-14-24-13-23(7-8-25(24)37-26)20-3-5-22(6-4-20)27(36)35-17-29(30,31)18-35/h3-8,13,15-16,21,26H,2,9-12,14,17-18H2,1H3
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| InChIKey |
FOJPWGYUEJZZID-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