General Information of the Compound
| Compound ID |
CP0970409
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| Compound Name |
1-((3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)cyclobutyl)methyl)-1-methyl-3-((1-methyl-1H-imidazol-4-yl)methyl)urea
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| Structure |
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| Formula |
C26H26F3N5O
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| Molecular Weight |
481.522
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| Canonical SMILES |
CN(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)NCc1cn(C)cn1
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| InChI |
InChI=1S/C26H26F3N5O/c1-33-13-20(31-14-33)11-30-26(35)34(2)12-15-7-17(8-15)23-21-9-19(28)10-22(29)25(21)32-24(23)16-3-5-18(27)6-4-16/h3-6,9-10,13-15,17,32H,7-8,11-12H2,1-2H3,(H,30,35)
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| InChIKey |
WWJHPAXOEKGLAU-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