General Information of the Compound
| Compound ID |
CP0432351
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| Compound Name |
methyl 5-[1-[(4-tert-butylphenyl)methylamino]-1-oxopropan-2-yl]-2-(methanesulfonamido)benzoate
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| Structure |
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| Formula |
C23H30N2O5S
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| Molecular Weight |
446.569
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| Canonical SMILES |
COC(=O)c1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H30N2O5S/c1-15(21(26)24-14-16-7-10-18(11-8-16)23(2,3)4)17-9-12-20(25-31(6,28)29)19(13-17)22(27)30-5/h7-13,15,25H,14H2,1-6H3,(H,24,26)
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| InChIKey |
ZIRSBBTWQFRBPX-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