General Information of the Compound
| Compound ID |
CP0558971
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| Compound Name |
N-(4-carbamimidoylphenyl)-4-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]pentanamide
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| Structure |
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| Formula |
C21H28N4O3S
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| Molecular Weight |
416.547
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| Canonical SMILES |
CC(C)CC(N(C)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C21H28N4O3S/c1-14(2)13-19(21(26)24-17-9-7-16(8-10-17)20(22)23)25(4)29(27,28)18-11-5-15(3)6-12-18/h5-12,14,19H,13H2,1-4H3,(H3,22,23)(H,24,26)
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| InChIKey |
LCLUOZHEHSDWOK-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