General Information of the Compound
| Compound ID |
CP0970314
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]cyclobutanecarboxamide
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| Formula |
C26H29F3N2O2
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| Molecular Weight |
458.524
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| Canonical SMILES |
CC(C)C[C@@H](CO)NC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C26H29F3N2O2/c1-14(2)7-20(13-32)30-26(33)17-8-15(9-17)10-21-22-11-19(28)12-23(29)25(22)31-24(21)16-3-5-18(27)6-4-16/h3-6,11-12,14-15,17,20,31-32H,7-10,13H2,1-2H3,(H,30,33)/t15?,17?,20-/m0/s1
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| InChIKey |
KNHVVADTQVXVNJ-LAGYLCCXSA-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