General Information of the Compound
| Compound ID |
CP0950727
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
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| Formula |
C26H25F3N4O
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| Molecular Weight |
466.507
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| Canonical SMILES |
Cc1nn(C)cc1CNC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C26H25F3N4O/c1-14-18(13-33(2)32-14)12-30-26(34)17-7-15(8-17)9-21-22-10-20(28)11-23(29)25(22)31-24(21)16-3-5-19(27)6-4-16/h3-6,10-11,13,15,17,31H,7-9,12H2,1-2H3,(H,30,34)
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| InChIKey |
WAISYKBXNQUCJY-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