General Information of the Compound
| Compound ID |
CP0953075
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[4-(1-hydroxyethyl)-1-piperidyl]methanone
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| Formula |
C26H27F3N2O2
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| Molecular Weight |
456.508
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| Canonical SMILES |
CC(O)C1CCN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1
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| InChI |
InChI=1S/C26H27F3N2O2/c1-14(32)15-6-8-31(9-7-15)26(33)18-10-17(11-18)23-21-12-20(28)13-22(29)25(21)30-24(23)16-2-4-19(27)5-3-16/h2-5,12-15,17-18,30,32H,6-11H2,1H3/t14?,17-,18-
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| InChIKey |
IKRWRMOIWBHOPF-JREVSVDSSA-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