General Information of the Compound
| Compound ID |
CP0548645
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| Compound Name |
2-benzyl-N-(4-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C24H26N4O3S
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| Molecular Weight |
450.564
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NCC(Cc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C24H26N4O3S/c1-17-7-13-22(14-8-17)32(30,31)27-16-20(15-18-5-3-2-4-6-18)24(29)28-21-11-9-19(10-12-21)23(25)26/h2-14,20,27H,15-16H2,1H3,(H3,25,26)(H,28,29)
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| InChIKey |
NARNORNZVIFALG-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