General Information of the Compound
| Compound ID |
CP0567797
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| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[4-[2-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]phenyl]acetamide
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| Formula |
C31H38N2O3S
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| Molecular Weight |
518.723
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CC(C)C)cc34)cc2)cc1
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| InChI |
InChI=1S/C31H38N2O3S/c1-4-37(35,36)29-15-10-25(11-16-29)22-31(34)32-28-13-8-24(9-14-28)17-19-33-18-5-6-27-12-7-26(20-23(2)3)21-30(27)33/h7-16,21,23H,4-6,17-20,22H2,1-3H3,(H,32,34)
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| InChIKey |
QJPPVWSYEONCKA-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