General Information of the Compound
| Compound ID |
CP0558969
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| Compound Name |
N-(4-carbamimidoylphenyl)-3-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C22H28N4O3S
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| Molecular Weight |
428.558
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC(CC1CCCC1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C22H28N4O3S/c1-15-6-12-19(13-7-15)30(28,29)26-20(14-16-4-2-3-5-16)22(27)25-18-10-8-17(9-11-18)21(23)24/h6-13,16,20,26H,2-5,14H2,1H3,(H3,23,24)(H,25,27)
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| InChIKey |
LBHFJYVXQATNJS-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