General Information of the Compound
| Compound ID |
CP0967427
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(3-methyltetrahydrofuran-3-yl)methyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C26H27F3N2O2
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| Molecular Weight |
456.508
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| Canonical SMILES |
CC1(CNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CCOC1
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| InChI |
InChI=1S/C26H27F3N2O2/c1-26(6-7-33-14-26)13-30-25(32)17-8-15(9-17)10-20-21-11-19(28)12-22(29)24(21)31-23(20)16-2-4-18(27)5-3-16/h2-5,11-12,15,17,31H,6-10,13-14H2,1H3,(H,30,32)
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| InChIKey |
ZIQGMJQWUPHBQO-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