General Information of the Compound
| Compound ID |
CP0969837
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methyl-propyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C24H25F3N2O3
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| Molecular Weight |
446.469
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| Canonical SMILES |
CC(O)(CO)CNC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C24H25F3N2O3/c1-24(32,12-30)11-28-23(31)15-6-13(7-15)8-18-19-9-17(26)10-20(27)22(19)29-21(18)14-2-4-16(25)5-3-14/h2-5,9-10,13,15,29-30,32H,6-8,11-12H2,1H3,(H,28,31)
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| InChIKey |
QJXKUMFRVJTYAR-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