General Information of the Compound
| Compound ID |
CP0558973
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| Compound Name |
N-(4-carbamimidoylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C19H22N4O3S/c1-13-4-10-16(11-5-13)27(25,26)23-12-2-3-17(23)19(24)22-15-8-6-14(7-9-15)18(20)21/h4-11,17H,2-3,12H2,1H3,(H3,20,21)(H,22,24)
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| InChIKey |
XHCSVRMPEXXEDO-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