General Information of the Compound
| Compound ID |
CP0474410
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| Compound Name |
[(2S)-1-[3-[[(2S)-1-ethoxy-4-phenylbutan-2-yl]sulfamoyl]anilino]-4-methyl-1-oxopentan-2-yl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C29H42N2O6S
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| Molecular Weight |
546.73
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| Canonical SMILES |
CCOC[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C)c1
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| InChI |
InChI=1S/C29H42N2O6S/c1-7-36-20-24(17-16-22-12-9-8-10-13-22)31-38(34,35)25-15-11-14-23(19-25)30-27(32)26(18-21(2)3)37-28(33)29(4,5)6/h8-15,19,21,24,26,31H,7,16-18,20H2,1-6H3,(H,30,32)/t24-,26-/m0/s1
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| InChIKey |
GFBVEHZZTCTYAR-AHWVRZQESA-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