General Information of the Compound
| Compound ID |
CP0416912
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| Compound Name |
N-benzyl-5-[1-[(4-tert-butylphenyl)methylamino]-1-oxopropan-2-yl]-2-(methanesulfonamido)benzamide
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| Structure |
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| Formula |
C29H35N3O4S
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| Molecular Weight |
521.683
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(c1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C29H35N3O4S/c1-20(27(33)30-19-22-11-14-24(15-12-22)29(2,3)4)23-13-16-26(32-37(5,35)36)25(17-23)28(34)31-18-21-9-7-6-8-10-21/h6-17,20,32H,18-19H2,1-5H3,(H,30,33)(H,31,34)
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| InChIKey |
AYDMMERSOASIQO-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