General Information of the Compound
| Compound ID |
CP0970583
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]methanone
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| Formula |
C26H27F3N2O2
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| Molecular Weight |
456.508
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCCC[C@@H]1CCO
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| InChI |
InChI=1S/C26H27F3N2O2/c27-18-6-4-15(5-7-18)24-23(21-13-19(28)14-22(29)25(21)30-24)16-11-17(12-16)26(33)31-9-2-1-3-20(31)8-10-32/h4-7,13-14,16-17,20,30,32H,1-3,8-12H2/t16-,17-,20-/m1/s1
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| InChIKey |
WLZYWUPXUKGRHX-MBOZVWFJSA-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