General Information of the Compound
| Compound ID |
CP0551961
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| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[4-[2-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]phenyl]acetamide
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| Formula |
C31H36N2O4S
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| Molecular Weight |
532.706
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CC(=O)N3CCCc4ccc(CC(C)C)cc34)cc2)cc1
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| InChI |
InChI=1S/C31H36N2O4S/c1-4-38(36,37)28-15-10-23(11-16-28)20-30(34)32-27-13-8-24(9-14-27)21-31(35)33-17-5-6-26-12-7-25(18-22(2)3)19-29(26)33/h7-16,19,22H,4-6,17-18,20-21H2,1-3H3,(H,32,34)
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| InChIKey |
SHJOFZGRYDGUOZ-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