General Information of the Compound
| Compound ID |
CP0458444
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| Compound Name |
4-tert-butyl-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
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| Structure |
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| Formula |
C24H33N3O3S
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| Molecular Weight |
443.613
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| Canonical SMILES |
CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C24H33N3O3S/c1-18(2)26-14-16-27(17-15-26)31(29,30)22-12-10-21(11-13-22)25-23(28)19-6-8-20(9-7-19)24(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,25,28)
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| InChIKey |
PYHXVRKSQDWXQT-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
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4