General Information of the Compound
| Compound ID |
CP0953042
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[4-(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)N1CCC(CCO)CC1
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| InChI |
InChI=1S/C26H27F3N2O2/c27-19-3-1-16(2-4-19)24-23(21-13-20(28)14-22(29)25(21)30-24)17-11-18(12-17)26(33)31-8-5-15(6-9-31)7-10-32/h1-4,13-15,17-18,30,32H,5-12H2/t17-,18-
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| InChIKey |
IWJUDAGUCDITHP-IYARVYRRSA-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