General Information of the Compound
| Compound ID |
CP0969583
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(3-methylimidazol-4-yl)methyl]cyclobutanecarboxamide
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| Formula |
C25H23F3N4O
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| Molecular Weight |
452.48
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| Canonical SMILES |
Cn1cncc1CNC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C25H23F3N4O/c1-32-13-29-11-19(32)12-30-25(33)16-6-14(7-16)8-20-21-9-18(27)10-22(28)24(21)31-23(20)15-2-4-17(26)5-3-15/h2-5,9-11,13-14,16,31H,6-8,12H2,1H3,(H,30,33)
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| InChIKey |
UDDFTKUIQPWHHD-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