General Information of the Compound
| Compound ID |
CP0970519
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxo-tetrahydrofuran-3-yl)urea
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| Formula |
C25H24F3N3O3
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| Molecular Weight |
471.479
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| Canonical SMILES |
CC1CC(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/C25H24F3N3O3/c1-12-6-20(24(32)34-12)30-25(33)29-11-13-7-15(8-13)21-18-9-17(27)10-19(28)23(18)31-22(21)14-2-4-16(26)5-3-14/h2-5,9-10,12-13,15,20,31H,6-8,11H2,1H3,(H2,29,30,33)/t12?,13-,15-,20?
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| InChIKey |
IQEFZZWEVXQHED-GTFBZFKVSA-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