General Information of the Compound
| Compound ID |
CP0969834
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| Compound Name |
trans-[1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]azetidin-3-yl]tetrahydropyran-4-carboxylate
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| Structure |
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| Formula |
C28H27F3N2O4
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| Molecular Weight |
512.528
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| Canonical SMILES |
O=C(OC1CN(C(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C1)C1CCOCC1
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| InChI |
InChI=1S/C28H27F3N2O4/c29-19-3-1-15(2-4-19)25-24(22-11-20(30)12-23(31)26(22)32-25)17-9-18(10-17)27(34)33-13-21(14-33)37-28(35)16-5-7-36-8-6-16/h1-4,11-12,16-18,21,32H,5-10,13-14H2
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| InChIKey |
STGROCLUOFOJEG-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