General Information of the Compound
| Compound ID |
CP0420668
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| Compound Name |
2-[2-(1-adamantylamino)-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 |
C32H38N4O2S
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| Molecular Weight |
542.749
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| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)NC23CC4CC(CC(C4)C2)C3)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H38N4O2S/c1-20-9-22(3)27(10-21(20)2)28-14-29(36(35-28)26-7-5-4-6-8-26)33-30(37)18-39-19-31(38)34-32-15-23-11-24(16-32)13-25(12-23)17-32/h4-10,14,23-25H,11-13,15-19H2,1-3H3,(H,33,37)(H,34,38)
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| InChIKey |
NJMLZLFEPYDIKZ-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