General Information of the Compound
| Compound ID |
CP0521796
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| Compound Name |
N-(4-carbamimidoylphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
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| Structure |
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| Formula |
C19H24N4O3S
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| Molecular Weight |
388.493
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| Canonical SMILES |
CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C19H24N4O3S/c1-12(2)17(23-27(25,26)16-10-4-13(3)5-11-16)19(24)22-15-8-6-14(7-9-15)18(20)21/h4-12,17,23H,1-3H3,(H3,20,21)(H,22,24)
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| InChIKey |
LBHWMWZHLUMFRP-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