General Information of the Compound
| Compound ID |
CP0437720
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| Compound Name |
N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
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| Structure |
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| Formula |
C22H30N2O4S
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| Molecular Weight |
418.559
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C22H30N2O4S/c1-15(17-9-12-19(20(13-17)28-5)24-29(6,26)27)21(25)23-14-16-7-10-18(11-8-16)22(2,3)4/h7-13,15,24H,14H2,1-6H3,(H,23,25)
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| InChIKey |
NIKHXVNRHXCTOE-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