General Information of the Compound
| Compound ID |
CP0558951
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| Compound Name |
N-[[2-(azepan-1-yl)-4-tert-butylphenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H38FN3O3S
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| Molecular Weight |
503.684
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCCCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H38FN3O3S/c1-19(20-11-13-24(23(28)16-20)30-35(5,33)34)26(32)29-18-21-10-12-22(27(2,3)4)17-25(21)31-14-8-6-7-9-15-31/h10-13,16-17,19,30H,6-9,14-15,18H2,1-5H3,(H,29,32)
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| InChIKey |
CYWITWLNFKFARB-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