General Information of the Compound
| Compound ID |
CP0950726
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| Compound Name |
N-(1-cyano-2-hydroxy-ethyl)-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
N#CC(CO)NC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C23H20F3N3O2/c24-15-3-1-13(2-4-15)21-18(19-8-16(25)9-20(26)22(19)29-21)7-12-5-14(6-12)23(31)28-17(10-27)11-30/h1-4,8-9,12,14,17,29-30H,5-7,11H2,(H,28,31)
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| InChIKey |
LVFHNJXWQJRYIP-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