General Information of the Compound
| Compound ID |
CP0521054
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| Compound Name |
N-(4-carbamimidoylphenyl)-2-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]acetamide
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| Structure |
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| Formula |
C21H26N4O3S
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| Molecular Weight |
414.531
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC(C1CCCC1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C21H26N4O3S/c1-14-6-12-18(13-7-14)29(27,28)25-19(15-4-2-3-5-15)21(26)24-17-10-8-16(9-11-17)20(22)23/h6-13,15,19,25H,2-5H2,1H3,(H3,22,23)(H,24,26)
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| InChIKey |
WFPLZNYCSSUAGZ-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