General Information of the Compound
| Compound ID |
CP0361258
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| Compound Name |
N-[4-[1-(1,3-dihydroisoindol-2-yl)-2-methyl-1-oxopropan-2-yl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C28H30N2O4S
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| Molecular Weight |
490.625
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2Cc3ccccc3C2)cc1
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| InChI |
InChI=1S/C28H30N2O4S/c1-4-35(33,34)25-15-9-20(10-16-25)17-26(31)29-24-13-11-23(12-14-24)28(2,3)27(32)30-18-21-7-5-6-8-22(21)19-30/h5-16H,4,17-19H2,1-3H3,(H,29,31)
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| InChIKey |
HXLFKSOYXHHJCW-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