General Information of the Compound
| Compound ID |
CP0420667
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| Compound Name |
2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C35H31N3O2S
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| Molecular Weight |
557.719
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| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)c2ccc-3c(Cc4ccccc-34)c2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H31N3O2S/c1-22-15-24(3)31(16-23(22)2)32-19-34(38(37-32)28-10-5-4-6-11-28)36-35(40)21-41-20-33(39)26-13-14-30-27(18-26)17-25-9-7-8-12-29(25)30/h4-16,18-19H,17,20-21H2,1-3H3,(H,36,40)
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| InChIKey |
CJIOSPRHOPVRKJ-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