General Information of the Compound
| Compound ID |
CP0558970
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| Compound Name |
N-(4-carbamimidoylphenyl)-3-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C23H30N4O3S
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| Molecular Weight |
442.585
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC(CC(=O)Nc1ccc(cc1)C(N)=N)C1CCCCC1
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| InChI |
InChI=1S/C23H30N4O3S/c1-16-7-13-20(14-8-16)31(29,30)27-21(17-5-3-2-4-6-17)15-22(28)26-19-11-9-18(10-12-19)23(24)25/h7-14,17,21,27H,2-6,15H2,1H3,(H3,24,25)(H,26,28)
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| InChIKey |
VIXKCXIELHNOAH-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