General Information of the Compound
| Compound ID |
CP0519321
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| Compound Name |
N-[1-[2-(4-cyanophenyl)ethyl]indol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C27H25N3O3S
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| Molecular Weight |
471.582
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(cc4)C#N)ccc3c2)cc1
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| InChI |
InChI=1S/C27H25N3O3S/c1-2-34(32,33)25-10-7-21(8-11-25)17-27(31)29-24-9-12-26-23(18-24)14-16-30(26)15-13-20-3-5-22(19-28)6-4-20/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,29,31)
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| InChIKey |
PGAQNWMPGDENLH-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