General Information of the Compound
| Compound ID |
CP0968891
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3,5,5-trimethyl-2-oxo-tetrahydrofuran-3-yl)urea
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| Formula |
C27H28F3N3O3
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| Molecular Weight |
499.533
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| Canonical SMILES |
CC1(C)CC(C)(NC(=O)NC[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C(=O)O1
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| InChI |
InChI=1S/C27H28F3N3O3/c1-26(2)13-27(3,24(34)36-26)33-25(35)31-12-14-8-16(9-14)21-19-10-18(29)11-20(30)23(19)32-22(21)15-4-6-17(28)7-5-15/h4-7,10-11,14,16,32H,8-9,12-13H2,1-3H3,(H2,31,33,35)/t14-,16-,27?
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| InChIKey |
TWFIVSFOERBLDW-QLEMOQGCSA-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