General Information of the Compound
| Compound ID |
CP0431675
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| Compound Name |
N-[(4-fluorophenyl)methyl]-2-[2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl]sulfanylacetamide
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| Structure |
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| Formula |
C29H29FN4O2S
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| Molecular Weight |
516.642
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| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)NCc2ccc(F)cc2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H29FN4O2S/c1-19-13-21(3)25(14-20(19)2)26-15-27(34(33-26)24-7-5-4-6-8-24)32-29(36)18-37-17-28(35)31-16-22-9-11-23(30)12-10-22/h4-15H,16-18H2,1-3H3,(H,31,35)(H,32,36)
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| InChIKey |
WNBCWNUHZQIEPY-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