General Information of the Compound
| Compound ID |
CP0537151
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| Compound Name |
N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]hexanamide
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| Structure |
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| Formula |
C19H23BrN2O3S
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| Molecular Weight |
439.375
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| Canonical SMILES |
CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C19H23BrN2O3S/c1-3-4-5-18(19(23)21-16-10-8-15(20)9-11-16)22-26(24,25)17-12-6-14(2)7-13-17/h6-13,18,22H,3-5H2,1-2H3,(H,21,23)
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| InChIKey |
VFEBPVFRKBKWBW-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: PT03005, Serine protease hepsin
Protein ID: PT01043, Urokinase-type plasminogen activator